sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide

C15H15N5NaO2- — CID 162775395

IUPACsodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide
SMILESCc1nc(Nc2nc(C)c3cc[c-]cc3n2)[nH]c(=O)c1C.[Na+].[OH-]
InChIInChI=1S/C15H14N5O.Na.H2O/c1-8-9(2)16-15(19-13(8)21)20-14-17-10(3)11-6-4-5-7-12(11)18-14;;/h4,6-7H,1-3H3,(H2,16,17,18,19,20,21);;1H2/q-1;+1;/p-1
InChIKeyDPUPFFNAWPGDBT-UHFFFAOYSA-M
MW320.31 g/mol
LogP-0.99
Rot. Bonds2

About sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide

sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide (PubChem CID 162775395) has the molecular formula C15H15N5NaO2- and a molecular weight of 320.31 g/mol. Its IUPAC name is sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide.

Molecular Properties

Compound Namesodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide
PubChem CID162775395
Molecular FormulaC15H15N5NaO2-
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Namesodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide
SMILESCc1nc(Nc2nc(C)c3cc[c-]cc3n2)[nH]c(=O)c1C.[Na+].[OH-]
InChIInChI=1S/C15H14N5O.Na.H2O/c1-8-9(2)16-15(19-13(8)21)20-14-17-10(3)11-6-4-5-7-12(11)18-14;;/h4,6-7H,1-3H3,(H2,16,17,18,19,20,21);;1H2/q-1;+1;/p-1
InChIKeyDPUPFFNAWPGDBT-UHFFFAOYSA-M
XLogP-0.99
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide?
The IUPAC name of sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide (CID 162775395) is sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide.
What is the SMILES notation for sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide?
The canonical SMILES for sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide is Cc1nc(Nc2nc(C)c3cc[c-]cc3n2)[nH]c(=O)c1C.[Na+].[OH-].
What is the InChIKey of sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide?
The InChIKey is DPUPFFNAWPGDBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N5O.Na.H2O/c1-8-9(2)16-15(19-13(8)21)20-14-17-10(3)11-6-4-5-7-12(11)18-14;;/h4,6-7H,1-3H3,(H2,16,17,18,19,20,21);;1H2/q-1;+1;/p-1.
What are the key properties of sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide?
sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide has a molecular weight of 320.31 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4,5-dimethyl-2-[(4-methyl-7H-quinazolin-7-id-2-yl)amino]-1H-pyrimidin-6-one;hydroxide is sourced from PubChem (CID 162775395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).