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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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).