(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H25N5O2 — CID 95209591

IUPAC(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2nccn2C)[C@H](CCc2ccccc2)NC(=O)N1
InChIInChI=1S/C20H25N5O2/c1-14-18(19(26)25(3)13-17-21-11-12-24(17)2)16(23-20(27)22-14)10-9-15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13H2,1-3H3,(H2,22,23,27)/t16-/m0/s1
InChIKeyQYMAAGCKOOCYFG-INIZCTEOSA-N
MW367.45 g/mol
LogP1.97
Rot. Bonds6

About (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95209591) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95209591
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2nccn2C)[C@H](CCc2ccccc2)NC(=O)N1
InChIInChI=1S/C20H25N5O2/c1-14-18(19(26)25(3)13-17-21-11-12-24(17)2)16(23-20(27)22-14)10-9-15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13H2,1-3H3,(H2,22,23,27)/t16-/m0/s1
InChIKeyQYMAAGCKOOCYFG-INIZCTEOSA-N
XLogP1.97
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
CID 77083818
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CID 70774243
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
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CID 60721954
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 42169778
3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 75515784
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766

Frequently Asked Questions

What is the IUPAC name of (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95209591) is (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)Cc2nccn2C)[C@H](CCc2ccccc2)NC(=O)N1.
What is the InChIKey of (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is QYMAAGCKOOCYFG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-18(19(26)25(3)13-17-21-11-12-24(17)2)16(23-20(27)22-14)10-9-15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13H2,1-3H3,(H2,22,23,27)/t16-/m0/s1.
What are the key properties of (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95209591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).