4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide

C19H27N7O2 — CID 123207972

IUPAC4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCNC1CCCCC1N(C)c1ncc(C(N)=O)c(Nc2cncc(OC)c2)n1
InChIInChI=1S/C19H27N7O2/c1-21-15-6-4-5-7-16(15)26(2)19-23-11-14(17(20)27)18(25-19)24-12-8-13(28-3)10-22-9-12/h8-11,15-16,21H,4-7H2,1-3H3,(H2,20,27)(H,23,24,25)
InChIKeyLLOSLSUBIVQDSA-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.69
Rot. Bonds7

About 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide

4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 123207972) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID123207972
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCNC1CCCCC1N(C)c1ncc(C(N)=O)c(Nc2cncc(OC)c2)n1
InChIInChI=1S/C19H27N7O2/c1-21-15-6-4-5-7-16(15)26(2)19-23-11-14(17(20)27)18(25-19)24-12-8-13(28-3)10-22-9-12/h8-11,15-16,21H,4-7H2,1-3H3,(H2,20,27)(H,23,24,25)
InChIKeyLLOSLSUBIVQDSA-UHFFFAOYSA-N
XLogP1.69
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 69284851
6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(1H-pyrrolo[3,2-b]pyridin-6-ylamino)pyridine-3-carboxamide
CID 129192516
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 67774949
5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
CID 129192209
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-methoxy-3-methylanilino)pyrimidine-5-carboxamide
CID 59199700
6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 129192227
5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide
CID 123644186
[3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-5-carbamoylpyrimidin-4-yl]amino]-5-methoxyphenyl]-[(Z)-2-iminoethylideneamino]azanium
CID 143890615
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
CID 71577713
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67775471
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000
2-[[(1R,2S,3S)-2-amino-3-methylcyclohexyl]amino]-4-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 59199787

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide (CID 123207972) is 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide is CNC1CCCCC1N(C)c1ncc(C(N)=O)c(Nc2cncc(OC)c2)n1.
What is the InChIKey of 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is LLOSLSUBIVQDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-21-15-6-4-5-7-16(15)26(2)19-23-11-14(17(20)27)18(25-19)24-12-8-13(28-3)10-22-9-12/h8-11,15-16,21H,4-7H2,1-3H3,(H2,20,27)(H,23,24,25).
What are the key properties of 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide?
4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 123207972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).