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

C17H23N7O — CID 123987334

IUPAC4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(N)c1
InChIInChI=1S/C17H23N7O/c18-10-4-3-5-11(8-10)22-16-12(15(20)25)9-21-17(24-16)23-14-7-2-1-6-13(14)19/h3-5,8-9,13-14H,1-2,6-7,18-19H2,(H2,20,25)(H2,21,22,23,24)
InChIKeyWWHMVMNWZHQMMG-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.58
Rot. Bonds5

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

4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 123987334) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID123987334
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(N)c1
InChIInChI=1S/C17H23N7O/c18-10-4-3-5-11(8-10)22-16-12(15(20)25)9-21-17(24-16)23-14-7-2-1-6-13(14)19/h3-5,8-9,13-14H,1-2,6-7,18-19H2,(H2,20,25)(H2,21,22,23,24)
InChIKeyWWHMVMNWZHQMMG-UHFFFAOYSA-N
XLogP1.58
TPSA144.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471964
[(Z)-3-amino-2-[3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-5-carbamoylpyrimidin-4-yl]amino]phenyl]prop-2-enylidene]azanium
CID 143890623
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-oxazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 46184137
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-[3-(3-morpholin-4-ylphenyl)anilino]pyrimidine-5-carboxamide
CID 57471960
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(isoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 71577948
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-[(Z)-1-amino-3-iminoprop-1-enyl]anilino]pyrimidine-5-carboxamide
CID 143890502
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(benzimidazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 57471929
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-[4-(2-oxopiperidin-1-yl)phenyl]anilino]pyrimidine-5-carboxamide
CID 57471957
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 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide (CID 123987334) is 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(N)c1.
What is the InChIKey of 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is WWHMVMNWZHQMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c18-10-4-3-5-11(8-10)22-16-12(15(20)25)9-21-17(24-16)23-14-7-2-1-6-13(14)19/h3-5,8-9,13-14H,1-2,6-7,18-19H2,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide?
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 123987334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).