(4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H24N6O3 — CID 95212758

IUPAC(4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2cc(CC(C)C)on2)[C@H](c2nc[nH]c2C)NC(=O)N1
InChIInChI=1S/C18H24N6O3/c1-9(2)5-13-6-12(24-27-13)7-19-17(25)14-10(3)22-18(26)23-16(14)15-11(4)20-8-21-15/h6,8-9,16H,5,7H2,1-4H3,(H,19,25)(H,20,21)(H2,22,23,26)/t16-/m1/s1
InChIKeyCOSGKGWXHDNQEY-MRXNPFEDSA-N
MW372.43 g/mol
LogP1.85
Rot. Bonds6

About (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95212758) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95212758
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2cc(CC(C)C)on2)[C@H](c2nc[nH]c2C)NC(=O)N1
InChIInChI=1S/C18H24N6O3/c1-9(2)5-13-6-12(24-27-13)7-19-17(25)14-10(3)22-18(26)23-16(14)15-11(4)20-8-21-15/h6,8-9,16H,5,7H2,1-4H3,(H,19,25)(H,20,21)(H2,22,23,26)/t16-/m1/s1
InChIKeyCOSGKGWXHDNQEY-MRXNPFEDSA-N
XLogP1.85
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95212758) is (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCc2cc(CC(C)C)on2)[C@H](c2nc[nH]c2C)NC(=O)N1.
What is the InChIKey of (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is COSGKGWXHDNQEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-9(2)5-13-6-12(24-27-13)7-19-17(25)14-10(3)22-18(26)23-16(14)15-11(4)20-8-21-15/h6,8-9,16H,5,7H2,1-4H3,(H,19,25)(H,20,21)(H2,22,23,26)/t16-/m1/s1.
What are the key properties of (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95212758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).