2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

C17H21N9O — CID 59199550

IUPAC2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2nc(NC[C@H](C)N)ncc2C(N)=O)cc(-n2nccn2)c1
InChIInChI=1S/C17H21N9O/c1-10-5-12(7-13(6-10)26-22-3-4-23-26)24-16-14(15(19)27)9-21-17(25-16)20-8-11(2)18/h3-7,9,11H,8,18H2,1-2H3,(H2,19,27)(H2,20,21,24,25)/t11-/m0/s1
InChIKeyQQKKHVUQMNIAPX-NSHDSACASA-N
MW367.42 g/mol
LogP0.97
Rot. Bonds7

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

2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 59199550) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
PubChem CID59199550
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2nc(NC[C@H](C)N)ncc2C(N)=O)cc(-n2nccn2)c1
InChIInChI=1S/C17H21N9O/c1-10-5-12(7-13(6-10)26-22-3-4-23-26)24-16-14(15(19)27)9-21-17(25-16)20-8-11(2)18/h3-7,9,11H,8,18H2,1-2H3,(H2,19,27)(H2,20,21,24,25)/t11-/m0/s1
InChIKeyQQKKHVUQMNIAPX-NSHDSACASA-N
XLogP0.97
TPSA149.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
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-[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
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335824
2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 59199697
2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
CID 67002769
2-(2-aminopropylamino)-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 70981953
2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 143890450
2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(3-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 67477032
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (CID 59199550) is 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is Cc1cc(Nc2nc(NC[C@H](C)N)ncc2C(N)=O)cc(-n2nccn2)c1.
What is the InChIKey of 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is QQKKHVUQMNIAPX-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N9O/c1-10-5-12(7-13(6-10)26-22-3-4-23-26)24-16-14(15(19)27)9-21-17(25-16)20-8-11(2)18/h3-7,9,11H,8,18H2,1-2H3,(H2,19,27)(H2,20,21,24,25)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 0.97, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59199550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).