7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H25N3O — CID 135866153

IUPAC7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(CCC(C)C)C2
InChIInChI=1S/C15H25N3O/c1-4-5-14-16-13-10-18(8-6-11(2)3)9-7-12(13)15(19)17-14/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyUWTAAMKGISESCJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.13
Rot. Bonds5

About 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866153) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866153
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(CCC(C)C)C2
InChIInChI=1S/C15H25N3O/c1-4-5-14-16-13-10-18(8-6-11(2)3)9-7-12(13)15(19)17-14/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyUWTAAMKGISESCJ-UHFFFAOYSA-N
XLogP2.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866153) is 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CCN(CCC(C)C)C2.
What is the InChIKey of 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UWTAAMKGISESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-14-16-13-10-18(8-6-11(2)3)9-7-12(13)15(19)17-14/h11H,4-10H2,1-3H3,(H,16,17,19).
What are the key properties of 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbutyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).