2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

C16H17N9O2 — CID 59199677

IUPAC2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1)C(N)=O
InChIInChI=1S/C16H17N9O2/c1-9(13(17)26)22-16-19-8-12(14(18)27)15(24-16)23-10-3-2-4-11(7-10)25-20-5-6-21-25/h2-9H,1H3,(H2,17,26)(H2,18,27)(H2,19,22,23,24)/t9-/m1/s1
InChIKeyLIYCHUZBAQGVFI-SECBINFHSA-N
MW367.37 g/mol
LogP0.19
Rot. Bonds7

About 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 59199677) has the molecular formula C16H17N9O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
PubChem CID59199677
Molecular FormulaC16H17N9O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1)C(N)=O
InChIInChI=1S/C16H17N9O2/c1-9(13(17)26)22-16-19-8-12(14(18)27)15(24-16)23-10-3-2-4-11(7-10)25-20-5-6-21-25/h2-9H,1H3,(H2,17,26)(H2,18,27)(H2,19,22,23,24)/t9-/m1/s1
InChIKeyLIYCHUZBAQGVFI-SECBINFHSA-N
XLogP0.19
TPSA166.73 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57480312
2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57472102
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 46185385
2-[(1-amino-1-oxopropan-2-yl)amino]-4-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 57480301
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199511
2-[[(1S,2S)-2-amino-3,3-difluorocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 71576960
2-(5,6,7,8-tetrahydroquinolin-8-ylamino)-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 71577369
tert-butyl N-[2-[[5-carbamoyl-4-[3-(triazol-2-yl)anilino]pyrimidin-2-yl]amino]-6-hydroxycyclohexyl]carbamate
CID 123343933
2-[[(1R,3S)-3-hydroxy-2-iminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 143890456
2-[(1-amino-4,4-difluorobutan-2-yl)-methylamino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 123297095
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335824
2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199550

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (CID 59199677) is 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is C[C@@H](Nc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1)C(N)=O.
What is the InChIKey of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is LIYCHUZBAQGVFI-SECBINFHSA-N. The full InChI is InChI=1S/C16H17N9O2/c1-9(13(17)26)22-16-19-8-12(14(18)27)15(24-16)23-10-3-2-4-11(7-10)25-20-5-6-21-25/h2-9H,1H3,(H2,17,26)(H2,18,27)(H2,19,22,23,24)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59199677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).