2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide

C14H21N7O — CID 95211892

IUPAC2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cc(CC(C)C)nc(N)n2)n[nH]1
InChIInChI=1S/C14H21N7O/c1-7(2)5-10-6-11(19-14(15)18-10)13(22)16-8(3)12-17-9(4)20-21-12/h6-8H,5H2,1-4H3,(H,16,22)(H2,15,18,19)(H,17,20,21)/t8-/m0/s1
InChIKeyMGFPCXAQJUUTTQ-QMMMGPOBSA-N
MW303.37 g/mol
LogP1.17
Rot. Bonds5

About 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide

2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 95211892) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID95211892
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cc(CC(C)C)nc(N)n2)n[nH]1
InChIInChI=1S/C14H21N7O/c1-7(2)5-10-6-11(19-14(15)18-10)13(22)16-8(3)12-17-9(4)20-21-12/h6-8H,5H2,1-4H3,(H,16,22)(H2,15,18,19)(H,17,20,21)/t8-/m0/s1
InChIKeyMGFPCXAQJUUTTQ-QMMMGPOBSA-N
XLogP1.17
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 126425607
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3-(3-hydroxy-3-methylbutyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]benzamide
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CID 95199242
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-2-amino-6-(2-methylpropyl)pyrimidine-4-carboxamide
CID 56751755
3-(azepan-1-ylmethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]benzamide
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2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 97120399

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide (CID 95211892) is 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide is Cc1nc([C@H](C)NC(=O)c2cc(CC(C)C)nc(N)n2)n[nH]1.
What is the InChIKey of 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is MGFPCXAQJUUTTQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H21N7O/c1-7(2)5-10-6-11(19-14(15)18-10)13(22)16-8(3)12-17-9(4)20-21-12/h6-8H,5H2,1-4H3,(H,16,22)(H2,15,18,19)(H,17,20,21)/t8-/m0/s1.
What are the key properties of 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95211892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).