4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide

C16H16N8O — CID 44540822

IUPAC4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(-n3cncn3)c2)nc1NC1CC1
InChIInChI=1S/C16H16N8O/c17-14(25)13-7-19-16(23-15(13)21-10-4-5-10)22-11-2-1-3-12(6-11)24-9-18-8-20-24/h1-3,6-10H,4-5H2,(H2,17,25)(H2,19,21,22,23)
InChIKeyAPMJZKOBLBGTSU-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.47
Rot. Bonds6

About 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 44540822) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
PubChem CID44540822
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(-n3cncn3)c2)nc1NC1CC1
InChIInChI=1S/C16H16N8O/c17-14(25)13-7-19-16(23-15(13)21-10-4-5-10)22-11-2-1-3-12(6-11)24-9-18-8-20-24/h1-3,6-10H,4-5H2,(H2,17,25)(H2,19,21,22,23)
InChIKeyAPMJZKOBLBGTSU-UHFFFAOYSA-N
XLogP1.47
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 44594230
5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[3-(1,2,4-triazol-1-yl)phenyl]pyrimidine-2,4-diamine
CID 46865948
2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014951
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide
CID 67510063
2-[4-(4-acetylpiperazin-1-yl)-3-chloroanilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44594939
2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014896
N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 58098819
2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014871
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
4-(cyclopropylamino)-2-[4-[4-(2-methoxyacetyl)piperazin-1-yl]anilino]pyrimidine-5-carboxamide
CID 44594663
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide (CID 44540822) is 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2cccc(-n3cncn3)c2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is APMJZKOBLBGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c17-14(25)13-7-19-16(23-15(13)21-10-4-5-10)22-11-2-1-3-12(6-11)24-9-18-8-20-24/h1-3,6-10H,4-5H2,(H2,17,25)(H2,19,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 44540822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).