5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide

C16H20N4O3 — CID 121485948

IUPAC5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccc(C)cc2)=C1N
InChIInChI=1S/C16H20N4O3/c1-9-4-6-12(7-5-9)23-8-10(2)18-15(21)14-13(17)11(3)19-16(22)20-14/h4-7,10H,3,8,17H2,1-2H3,(H,18,21)(H2,19,20,22)/t10-/m1/s1
InChIKeyJDOYMGJCJROHCN-SNVBAGLBSA-N
MW316.36 g/mol
LogP0.88
Rot. Bonds5

About 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide

5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 121485948) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID121485948
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccc(C)cc2)=C1N
InChIInChI=1S/C16H20N4O3/c1-9-4-6-12(7-5-9)23-8-10(2)18-15(21)14-13(17)11(3)19-16(22)20-14/h4-7,10H,3,8,17H2,1-2H3,(H,18,21)(H2,19,20,22)/t10-/m1/s1
InChIKeyJDOYMGJCJROHCN-SNVBAGLBSA-N
XLogP0.88
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485968
5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485984
5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
CID 121486001
5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121486014
5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580361
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 63103249
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide (CID 121485948) is 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccc(C)cc2)=C1N.
What is the InChIKey of 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is JDOYMGJCJROHCN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-4-6-12(7-5-9)23-8-10(2)18-15(21)14-13(17)11(3)19-16(22)20-14/h4-7,10H,3,8,17H2,1-2H3,(H,18,21)(H2,19,20,22)/t10-/m1/s1.
What are the key properties of 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 121485948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).