disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate

C15H14N5Na2O5P — CID 157021384

IUPACdisodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate
SMILESCc1nc(Nc2nc(C)c3ccc(OP(=O)([O-])[O-])cc3n2)[nH]c(=O)c1C.[Na+].[Na+]
InChIInChI=1S/C15H16N5O5P.2Na/c1-7-8(2)16-15(19-13(7)21)20-14-17-9(3)11-5-4-10(6-12(11)18-14)25-26(22,23)24;;/h4-6H,1-3H3,(H2,22,23,24)(H2,16,17,18,19,20,21);;/q;2*+1/p-2
InChIKeyVHJXRLWIEWPSIB-UHFFFAOYSA-L
MW421.26 g/mol
LogP-5.40
Rot. Bonds4

About disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate

disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate (PubChem CID 157021384) has the molecular formula C15H14N5Na2O5P and a molecular weight of 421.26 g/mol. Its IUPAC name is disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate.

Molecular Properties

Compound Namedisodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate
PubChem CID157021384
Molecular FormulaC15H14N5Na2O5P
Molecular Weight421.26 g/mol
Exact Mass421.05
IUPAC Namedisodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate
SMILESCc1nc(Nc2nc(C)c3ccc(OP(=O)([O-])[O-])cc3n2)[nH]c(=O)c1C.[Na+].[Na+]
InChIInChI=1S/C15H16N5O5P.2Na/c1-7-8(2)16-15(19-13(7)21)20-14-17-9(3)11-5-4-10(6-12(11)18-14)25-26(22,23)24;;/h4-6H,1-3H3,(H2,22,23,24)(H2,16,17,18,19,20,21);;/q;2*+1/p-2
InChIKeyVHJXRLWIEWPSIB-UHFFFAOYSA-L
XLogP-5.40
TPSA155.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.26
LogP ≤ 5-5.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] 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 disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate?
The IUPAC name of disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate (CID 157021384) is disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate.
What is the SMILES notation for disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate?
The canonical SMILES for disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate is Cc1nc(Nc2nc(C)c3ccc(OP(=O)([O-])[O-])cc3n2)[nH]c(=O)c1C.[Na+].[Na+].
What is the InChIKey of disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate?
The InChIKey is VHJXRLWIEWPSIB-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H16N5O5P.2Na/c1-7-8(2)16-15(19-13(7)21)20-14-17-9(3)11-5-4-10(6-12(11)18-14)25-26(22,23)24;;/h4-6H,1-3H3,(H2,22,23,24)(H2,16,17,18,19,20,21);;/q;2*+1/p-2.
What are the key properties of disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate?
disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate has a molecular weight of 421.26 g/mol, XLogP of -5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate is sourced from PubChem (CID 157021384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).