6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one

C9H10N4O — CID 78225824

IUPAC6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
SMILES[H]/N=C1\Cc2cnc(C)nc2N(C)C1=O
InChIInChI=1S/C9H10N4O/c1-5-11-4-6-3-7(10)9(14)13(2)8(6)12-5/h4,10H,3H2,1-2H3/b10-7+
InChIKeyHBSJLKSGJIDCGF-JXMROGBWSA-N
MW190.21 g/mol
LogP0.32
Rot. Bonds

About 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one

6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 78225824) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID78225824
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
SMILES[H]/N=C1\Cc2cnc(C)nc2N(C)C1=O
InChIInChI=1S/C9H10N4O/c1-5-11-4-6-3-7(10)9(14)13(2)8(6)12-5/h4,10H,3H2,1-2H3/b10-7+
InChIKeyHBSJLKSGJIDCGF-JXMROGBWSA-N
XLogP0.32
TPSA69.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one (CID 78225824) is 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one is [H]/N=C1\Cc2cnc(C)nc2N(C)C1=O.
What is the InChIKey of 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HBSJLKSGJIDCGF-JXMROGBWSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-11-4-6-3-7(10)9(14)13(2)8(6)12-5/h4,10H,3H2,1-2H3/b10-7+.
What are the key properties of 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one?
6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 190.21 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 78225824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).