2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide

C15H21N5O — CID 95122330

IUPAC2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N[C@@H](Cn2ccnc2)C(C)C)cn1
InChIInChI=1S/C15H21N5O/c1-4-14-17-7-12(8-18-14)15(21)19-13(11(2)3)9-20-6-5-16-10-20/h5-8,10-11,13H,4,9H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyLVOCACGUYLFUSV-ZDUSSCGKSA-N
MW287.37 g/mol
LogP1.69
Rot. Bonds6

About 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide

2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide (PubChem CID 95122330) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide
PubChem CID95122330
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N[C@@H](Cn2ccnc2)C(C)C)cn1
InChIInChI=1S/C15H21N5O/c1-4-14-17-7-12(8-18-14)15(21)19-13(11(2)3)9-20-6-5-16-10-20/h5-8,10-11,13H,4,9H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyLVOCACGUYLFUSV-ZDUSSCGKSA-N
XLogP1.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95123577
N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 94612533
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
CID 50956729
N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide
CID 155518982
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
CID 72879802
(2S)-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-3-methylbutanoic acid
CID 61480675

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide (CID 95122330) is 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)N[C@@H](Cn2ccnc2)C(C)C)cn1.
What is the InChIKey of 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is LVOCACGUYLFUSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-14-17-7-12(8-18-14)15(21)19-13(11(2)3)9-20-6-5-16-10-20/h5-8,10-11,13H,4,9H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide?
2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95122330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).