N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C18H22N4O3 — CID 91773250

IUPACN-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc(CC(C)C)[nH]c(=O)n1)c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-11(2)9-13-10-14(21-18(25)20-13)16(23)22-15(17(24)19-3)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H,19,24)(H,22,23)(H,20,21,25)
InChIKeyJGMVMMHFKOSTHH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 91773250) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID91773250
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc(CC(C)C)[nH]c(=O)n1)c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-11(2)9-13-10-14(21-18(25)20-13)16(23)22-15(17(24)19-3)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H,19,24)(H,22,23)(H,20,21,25)
InChIKeyJGMVMMHFKOSTHH-UHFFFAOYSA-N
XLogP1.19
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide
CID 131918411
N-(5-benzyl-1H-1,2,4-triazol-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 157012495
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 99958370
N-(3-aminopropyl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 90647366
4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 95194210
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 99702625
propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate
CID 55746406
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
6-(2-methylpropyl)-2-oxo-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1H-pyrimidine-4-carboxamide
CID 91789386

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 91773250) is N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CNC(=O)C(NC(=O)c1cc(CC(C)C)[nH]c(=O)n1)c1ccccc1.
What is the InChIKey of N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is JGMVMMHFKOSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(2)9-13-10-14(21-18(25)20-13)16(23)22-15(17(24)19-3)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H,19,24)(H,22,23)(H,20,21,25).
What are the key properties of N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 91773250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).