5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide

C13H15N4O2P — CID 142236402

IUPAC5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCn1cnc(C(=O)NCc2ccc(P)cc2)c(N)c1=O
InChIInChI=1S/C13H15N4O2P/c1-17-7-16-11(10(14)13(17)19)12(18)15-6-8-2-4-9(20)5-3-8/h2-5,7H,6,14,20H2,1H3,(H,15,18)
InChIKeyWSALBVIYRVRUIB-UHFFFAOYSA-N
MW290.26 g/mol
LogP-0.21
Rot. Bonds3

About 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide

5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 142236402) has the molecular formula C13H15N4O2P and a molecular weight of 290.26 g/mol. Its IUPAC name is 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID142236402
Molecular FormulaC13H15N4O2P
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC Name5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCn1cnc(C(=O)NCc2ccc(P)cc2)c(N)c1=O
InChIInChI=1S/C13H15N4O2P/c1-17-7-16-11(10(14)13(17)19)12(18)15-6-8-2-4-9(20)5-3-8/h2-5,7H,6,14,20H2,1H3,(H,15,18)
InChIKeyWSALBVIYRVRUIB-UHFFFAOYSA-N
XLogP-0.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135598715
N-benzyl-N-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)acetamide
CID 135424204
2-amino-9-benzyl-7-prop-2-enyl-1H-purine-6,8-dione
CID 135410334
2-[4-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 25884704
N-butyl-6-oxo-3-phenyl-1H-pyrazine-2-carboxamide
CID 51361225
6-Amino-3-benzyl-2-methoxy-5-nitroso-pyrimidin-4-one
CID 71458233
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-[(4-methylphenyl)methyl]acetamide
CID 91904071
2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987605
N-benzyl-5-hydroxy-1,2-dimethyl-6-oxopyrimidine-4-carboxamide
CID 145982323
5-Benzylamino-2,6-diamino-4-pyrimidinone
CID 135618519
6-Amino-2-(benzylamino)-3-methyl-5-nitrosopyrimidin-4-one
CID 11821304
N-cyclopentyl-2-(6-oxo-4-phenylpyrimidin-1(6H)-yl)acetamide
CID 25883674

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide (CID 142236402) is 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide is Cn1cnc(C(=O)NCc2ccc(P)cc2)c(N)c1=O.
What is the InChIKey of 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is WSALBVIYRVRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N4O2P/c1-17-7-16-11(10(14)13(17)19)12(18)15-6-8-2-4-9(20)5-3-8/h2-5,7H,6,14,20H2,1H3,(H,15,18).
What are the key properties of 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide?
5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 290.26 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 142236402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).