2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane

C11H19N3O — CID 144842583

IUPAC2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane
SMILESCC.Cc1nc2c(c(=O)[nH]1)CCCN2C
InChIInChI=1S/C9H13N3O.C2H6/c1-6-10-8-7(9(13)11-6)4-3-5-12(8)2;1-2/h3-5H2,1-2H3,(H,10,11,13);1-2H3
InChIKeyYFYTYMSOGYIAMA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds

About 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane

2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane (PubChem CID 144842583) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane
PubChem CID144842583
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane
SMILESCC.Cc1nc2c(c(=O)[nH]1)CCCN2C
InChIInChI=1S/C9H13N3O.C2H6/c1-6-10-8-7(9(13)11-6)4-3-5-12(8)2;1-2/h3-5H2,1-2H3,(H,10,11,13);1-2H3
InChIKeyYFYTYMSOGYIAMA-UHFFFAOYSA-N
XLogP1.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane?
The IUPAC name of 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane (CID 144842583) is 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane?
The canonical SMILES for 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane is CC.Cc1nc2c(c(=O)[nH]1)CCCN2C.
What is the InChIKey of 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane?
The InChIKey is YFYTYMSOGYIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-6-10-8-7(9(13)11-6)4-3-5-12(8)2;1-2/h3-5H2,1-2H3,(H,10,11,13);1-2H3.
What are the key properties of 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane?
2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane has a molecular weight of 209.29 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 144842583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).