N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C19H21ClN4OS — CID 133350630

IUPACN-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC(C)c2nc(-c3ccc(Cl)cc3)c(C)s2)n1
InChIInChI=1S/C19H21ClN4OS/c1-11-9-16(23-17(21-11)10-25-4)22-12(2)19-24-18(13(3)26-19)14-5-7-15(20)8-6-14/h5-9,12H,10H2,1-4H3,(H,21,22,23)
InChIKeyDVHMGHRGSVHLOK-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.19
Rot. Bonds6

About N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 133350630) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID133350630
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC NameN-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC(C)c2nc(-c3ccc(Cl)cc3)c(C)s2)n1
InChIInChI=1S/C19H21ClN4OS/c1-11-9-16(23-17(21-11)10-25-4)22-12(2)19-24-18(13(3)26-19)14-5-7-15(20)8-6-14/h5-9,12H,10H2,1-4H3,(H,21,22,23)
InChIKeyDVHMGHRGSVHLOK-UHFFFAOYSA-N
XLogP5.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 133350630) is N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(NC(C)c2nc(-c3ccc(Cl)cc3)c(C)s2)n1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is DVHMGHRGSVHLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-11-9-16(23-17(21-11)10-25-4)22-12(2)19-24-18(13(3)26-19)14-5-7-15(20)8-6-14/h5-9,12H,10H2,1-4H3,(H,21,22,23).
What are the key properties of N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 388.92 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133350630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).