4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide

C16H15N7O — CID 44594230

IUPAC4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1
InChIInChI=1S/C16H15N7O/c17-14(24)11-8-20-16(23-15(11)21-9-1-2-9)22-10-3-4-12-13(7-10)19-6-5-18-12/h3-9H,1-2H2,(H2,17,24)(H2,20,21,22,23)
InChIKeyVCFNFSZYMKUDDS-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.84
Rot. Bonds5

About 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide (PubChem CID 44594230) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
PubChem CID44594230
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1
InChIInChI=1S/C16H15N7O/c17-14(24)11-8-20-16(23-15(11)21-9-1-2-9)22-10-3-4-12-13(7-10)19-6-5-18-12/h3-9H,1-2H2,(H2,17,24)(H2,20,21,22,23)
InChIKeyVCFNFSZYMKUDDS-UHFFFAOYSA-N
XLogP1.84
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014871
2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014951
4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 153028738
4-(cyclobutylamino)-2-(2,3,4,5-tetrahydro-1,5-benzoxazepin-7-ylamino)pyrimidine-5-carboxamide
CID 154949415
2-[4-(4-acetylpiperazin-1-yl)-3-chloroanilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44594939
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 46185385
2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014896
4-(cyclopropylamino)-2-[4-[methyl(propanoyl)amino]anilino]pyrimidine-5-carboxamide
CID 58014826
4-(cyclopropylamino)-2-[[(3S)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl]amino]pyrimidine-5-carboxamide
CID 154949483
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045
4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 44540822

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide (CID 44594230) is 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The InChIKey is VCFNFSZYMKUDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c17-14(24)11-8-20-16(23-15(11)21-9-1-2-9)22-10-3-4-12-13(7-10)19-6-5-18-12/h3-9H,1-2H2,(H2,17,24)(H2,20,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 44594230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).