(4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate

C6H9N3O4P- — CID 24971456

IUPAC(4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate
SMILESCc1ncc(COP(=O)([O-])O)c(N)n1
InChIInChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)/p-1
InChIKeyPKYFHKIYHBRTPI-UHFFFAOYSA-M
MW218.13 g/mol
LogP-0.66
Rot. Bonds3

About (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate

(4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate (PubChem CID 24971456) has the molecular formula C6H9N3O4P- and a molecular weight of 218.13 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate
PubChem CID24971456
Molecular FormulaC6H9N3O4P-
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate
SMILESCc1ncc(COP(=O)([O-])O)c(N)n1
InChIInChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)/p-1
InChIKeyPKYFHKIYHBRTPI-UHFFFAOYSA-M
XLogP-0.66
TPSA121.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate (CID 24971456) is (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate is Cc1ncc(COP(=O)([O-])O)c(N)n1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate?
The InChIKey is PKYFHKIYHBRTPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)/p-1.
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate?
(4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate has a molecular weight of 218.13 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)methyl hydrogen phosphate is sourced from PubChem (CID 24971456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).