2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine

C96H125N21O12S4 — CID 158462560

IUPAC2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCCCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(N)cc(N)n3)c(C)s2)cc1OCCN1CCCCC1
InChIInChI=1S/C25H33N5O3S.C24H32N6O3S.C24H31N5O3S.C23H29N5O3S/c1-16-14-22(26)28-25(27-16)33-17(2)23-18(3)34-24(29-23)19-8-9-20(31-4)21(15-19)32-13-12-30-10-6-5-7-11-30;1-15(33-24-27-20(25)14-21(26)28-24)22-16(2)34-23(29-22)17-7-8-18(31-3)19(13-17)32-12-11-30-9-5-4-6-10-30;1-15-13-21(25)27-24(26-15)32-16(2)22-17(3)33-23(28-22)18-7-8-19(30-4)20(14-18)31-12-11-29-9-5-6-10-29;1-14-12-20(24)26-23(25-14)31-15(2)21-16(3)32-22(27-21)17-6-7-18(29-4)19(13-17)30-11-10-28-8-5-9-28/h8-9,14-15,17H,5-7,10-13H2,1-4H3,(H2,26,27,28);7-8,13-15H,4-6,9-12H2,1-3H3,(H4,25,26,27,28);7-8,13-14,16H,5-6,9-12H2,1-4H3,(H2,25,26,27);6-7,12-13,15H,5,8-11H2,1-4H3,(H2,24,25,26)/t17-;15-;16-;15-/m1111/s1
InChIKeyHFIXSHHOLXNVAK-JCJWCWKASA-N
MW1893.46 g/mol
LogP17.35
Rot. Bonds36

About 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine

2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine (PubChem CID 158462560) has the molecular formula C96H125N21O12S4 and a molecular weight of 1893.46 g/mol. Its IUPAC name is 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine
PubChem CID158462560
Molecular FormulaC96H125N21O12S4
Molecular Weight1893.46 g/mol
Exact Mass1891.87
IUPAC Name2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCCCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(N)cc(N)n3)c(C)s2)cc1OCCN1CCCCC1
InChIInChI=1S/C25H33N5O3S.C24H32N6O3S.C24H31N5O3S.C23H29N5O3S/c1-16-14-22(26)28-25(27-16)33-17(2)23-18(3)34-24(29-23)19-8-9-20(31-4)21(15-19)32-13-12-30-10-6-5-7-11-30;1-15(33-24-27-20(25)14-21(26)28-24)22-16(2)34-23(29-22)17-7-8-18(31-3)19(13-17)32-12-11-30-9-5-4-6-10-30;1-15-13-21(25)27-24(26-15)32-16(2)22-17(3)33-23(28-22)18-7-8-19(30-4)20(14-18)31-12-11-29-9-5-6-10-29;1-14-12-20(24)26-23(25-14)31-15(2)21-16(3)32-22(27-21)17-6-7-18(29-4)19(13-17)30-11-10-28-8-5-9-28/h8-9,14-15,17H,5-7,10-13H2,1-4H3,(H2,26,27,28);7-8,13-15H,4-6,9-12H2,1-3H3,(H4,25,26,27,28);7-8,13-14,16H,5-6,9-12H2,1-4H3,(H2,25,26,27);6-7,12-13,15H,5,8-11H2,1-4H3,(H2,24,25,26)/t17-;15-;16-;15-/m1111/s1
InChIKeyHFIXSHHOLXNVAK-JCJWCWKASA-N
XLogP17.35
TPSA408.50 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001893.46
LogP ≤ 517.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine (CID 158462560) is 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine is COc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(C)cc(N)n3)c(C)s2)cc1OCCN1CCCCC1.COc1ccc(-c2nc([C@@H](C)Oc3nc(N)cc(N)n3)c(C)s2)cc1OCCN1CCCCC1.
What is the InChIKey of 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine?
The InChIKey is HFIXSHHOLXNVAK-JCJWCWKASA-N. The full InChI is InChI=1S/C25H33N5O3S.C24H32N6O3S.C24H31N5O3S.C23H29N5O3S/c1-16-14-22(26)28-25(27-16)33-17(2)23-18(3)34-24(29-23)19-8-9-20(31-4)21(15-19)32-13-12-30-10-6-5-7-11-30;1-15(33-24-27-20(25)14-21(26)28-24)22-16(2)34-23(29-22)17-7-8-18(31-3)19(13-17)32-12-11-30-9-5-4-6-10-30;1-15-13-21(25)27-24(26-15)32-16(2)22-17(3)33-23(28-22)18-7-8-19(30-4)20(14-18)31-12-11-29-9-5-6-10-29;1-14-12-20(24)26-23(25-14)31-15(2)21-16(3)32-22(27-21)17-6-7-18(29-4)19(13-17)30-11-10-28-8-5-9-28/h8-9,14-15,17H,5-7,10-13H2,1-4H3,(H2,26,27,28);7-8,13-15H,4-6,9-12H2,1-3H3,(H4,25,26,27,28);7-8,13-14,16H,5-6,9-12H2,1-4H3,(H2,25,26,27);6-7,12-13,15H,5,8-11H2,1-4H3,(H2,24,25,26)/t17-;15-;16-;15-/m1111/s1.
What are the key properties of 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine?
2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine has a molecular weight of 1893.46 g/mol, XLogP of 17.35, 36 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[2-[3-[2-(azetidin-1-yl)ethoxy]-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine;2-[(1R)-1-[2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]pyrimidine-4,6-diamine;2-[(1R)-1-[2-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethoxy]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 158462560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).