2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide

C22H25N7O — CID 75165400

IUPAC2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2N)nc1Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C22H25N7O/c23-18-5-1-2-6-19(18)28-22-26-13-17(20(24)30)21(29-22)27-16-9-7-14(8-10-16)15-4-3-11-25-12-15/h3-4,7-13,18-19H,1-2,5-6,23H2,(H2,24,30)(H2,26,27,28,29)
InChIKeyFTMOIWSEQYMIBZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.06
Rot. Bonds6

About 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide

2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide (PubChem CID 75165400) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide
PubChem CID75165400
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2N)nc1Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C22H25N7O/c23-18-5-1-2-6-19(18)28-22-26-13-17(20(24)30)21(29-22)27-16-9-7-14(8-10-16)15-4-3-11-25-12-15/h3-4,7-13,18-19H,1-2,5-6,23H2,(H2,24,30)(H2,26,27,28,29)
InChIKeyFTMOIWSEQYMIBZ-UHFFFAOYSA-N
XLogP3.06
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(isoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 71577948
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471966
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-benzodioxol-5-yl)anilino]pyrimidine-5-carboxamide
CID 57472051
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(tetrazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 46184856
2-[[(2S)-2-aminocyclohexyl]amino]-4-(3-fluoro-5-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide
CID 118130264
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-oxazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 46184137
4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 123646313
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(3,5-dimethylpyrazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 46184610
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-methoxy-3-methylanilino)pyrimidine-5-carboxamide
CID 59199700

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide (CID 75165400) is 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is FTMOIWSEQYMIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c23-18-5-1-2-6-19(18)28-22-26-13-17(20(24)30)21(29-22)27-16-9-7-14(8-10-16)15-4-3-11-25-12-15/h3-4,7-13,18-19H,1-2,5-6,23H2,(H2,24,30)(H2,26,27,28,29).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide?
2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 75165400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).