N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide

C21H18N6OS — CID 122317137

IUPACN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccsc3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C21H18N6OS/c1-14-23-19(12-20(24-14)27-18-4-2-3-10-22-18)25-16-5-7-17(8-6-16)26-21(28)15-9-11-29-13-15/h2-13H,1H3,(H,26,28)(H2,22,23,24,25,27)
InChIKeyACVYJLSDODNPQC-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide (PubChem CID 122317137) has the molecular formula C21H18N6OS and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide
PubChem CID122317137
Molecular FormulaC21H18N6OS
Molecular Weight402.48 g/mol
Exact Mass402.13
IUPAC NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccsc3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C21H18N6OS/c1-14-23-19(12-20(24-14)27-18-4-2-3-10-22-18)25-16-5-7-17(8-6-16)26-21(28)15-9-11-29-13-15/h2-13H,1H3,(H,26,28)(H2,22,23,24,25,27)
InChIKeyACVYJLSDODNPQC-UHFFFAOYSA-N
XLogP4.98
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317045
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122317139
2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317288
2,4-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122317031
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122317189
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide
CID 122317146
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122317195
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122317237
1-(3-chlorophenyl)-3-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122317050

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide (CID 122317137) is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide is Cc1nc(Nc2ccc(NC(=O)c3ccsc3)cc2)cc(Nc2ccccn2)n1.
What is the InChIKey of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide?
The InChIKey is ACVYJLSDODNPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS/c1-14-23-19(12-20(24-14)27-18-4-2-3-10-22-18)25-16-5-7-17(8-6-16)26-21(28)15-9-11-29-13-15/h2-13H,1H3,(H,26,28)(H2,22,23,24,25,27).
What are the key properties of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide?
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 122317137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).