2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

C15H15N9O2 — CID 57472102

IUPAC2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)CNc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1
InChIInChI=1S/C15H15N9O2/c16-12(25)8-19-15-18-7-11(13(17)26)14(23-15)22-9-2-1-3-10(6-9)24-20-4-5-21-24/h1-7H,8H2,(H2,16,25)(H2,17,26)(H2,18,19,22,23)
InChIKeyAXYKSDKDBSYEII-UHFFFAOYSA-N
MW353.35 g/mol
LogP-0.20
Rot. Bonds7

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

2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 57472102) has the molecular formula C15H15N9O2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
PubChem CID57472102
Molecular FormulaC15H15N9O2
Molecular Weight353.35 g/mol
Exact Mass353.13
IUPAC Name2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)CNc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1
InChIInChI=1S/C15H15N9O2/c16-12(25)8-19-15-18-7-11(13(17)26)14(23-15)22-9-2-1-3-10(6-9)24-20-4-5-21-24/h1-7H,8H2,(H2,16,25)(H2,17,26)(H2,18,19,22,23)
InChIKeyAXYKSDKDBSYEII-UHFFFAOYSA-N
XLogP-0.20
TPSA166.73 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199677
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57480312
2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
CID 67002769
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-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199550
2-[(1-amino-4,4-difluorobutan-2-yl)-methylamino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 123297095
3-[[2-(2-aminoethylamino)-5-carbamoylpyrimidin-4-yl]amino]benzoic acid
CID 18460852
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335824
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (CID 57472102) is 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is NC(=O)CNc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is AXYKSDKDBSYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9O2/c16-12(25)8-19-15-18-7-11(13(17)26)14(23-15)22-9-2-1-3-10(6-9)24-20-4-5-21-24/h1-7H,8H2,(H2,16,25)(H2,17,26)(H2,18,19,22,23).
What are the key properties of 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 353.35 g/mol, XLogP of -0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 57472102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).