N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine

C23H24F2N6OS — CID 157297638

IUPACN-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCC1=Cc2c(cc(F)c(Oc3nc(Nc4cc(C)ns4)cc(N4CCN(C)CC4)n3)c2F)C1
InChIInChI=1S/C23H24F2N6OS/c1-13-8-15-11-17(24)22(21(25)16(15)9-13)32-23-27-18(26-20-10-14(2)29-33-20)12-19(28-23)31-6-4-30(3)5-7-31/h9-12H,4-8H2,1-3H3,(H,26,27,28)
InChIKeyOLYLMQBSIQEWSL-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.77
Rot. Bonds5

About N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine

N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 157297638) has the molecular formula C23H24F2N6OS and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID157297638
Molecular FormulaC23H24F2N6OS
Molecular Weight470.55 g/mol
Exact Mass470.17
IUPAC NameN-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCC1=Cc2c(cc(F)c(Oc3nc(Nc4cc(C)ns4)cc(N4CCN(C)CC4)n3)c2F)C1
InChIInChI=1S/C23H24F2N6OS/c1-13-8-15-11-17(24)22(21(25)16(15)9-13)32-23-27-18(26-20-10-14(2)29-33-20)12-19(28-23)31-6-4-30(3)5-7-31/h9-12H,4-8H2,1-3H3,(H,26,27,28)
InChIKeyOLYLMQBSIQEWSL-UHFFFAOYSA-N
XLogP4.77
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Related Compounds

N-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine
CID 90147518
N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 159739868
5-bromo-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 159849466
2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 157447284
N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-ethyl-1,2-oxazol-5-amine
CID 160548406
2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 158982141
2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 157341776
3-cyclopropyl-N-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 159353891
5-bromo-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 159281672
5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 158476722
2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 158014359
N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 157329954

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine (CID 157297638) is N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine is CC1=Cc2c(cc(F)c(Oc3nc(Nc4cc(C)ns4)cc(N4CCN(C)CC4)n3)c2F)C1.
What is the InChIKey of N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is OLYLMQBSIQEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6OS/c1-13-8-15-11-17(24)22(21(25)16(15)9-13)32-23-27-18(26-20-10-14(2)29-33-20)12-19(28-23)31-6-4-30(3)5-7-31/h9-12H,4-8H2,1-3H3,(H,26,27,28).
What are the key properties of N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine?
N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 470.55 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 157297638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).