2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C11H17N3O — CID 83883371

IUPAC2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(C)C)CCNC2
InChIInChI=1S/C11H17N3O/c1-7(2)14-8(3)13-10-6-12-5-4-9(10)11(14)15/h7,12H,4-6H2,1-3H3
InChIKeyHHWHECCMUNIEBV-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds1

About 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 83883371) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID83883371
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(C)C)CCNC2
InChIInChI=1S/C11H17N3O/c1-7(2)14-8(3)13-10-6-12-5-4-9(10)11(14)15/h7,12H,4-6H2,1-3H3
InChIKeyHHWHECCMUNIEBV-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 83883371) is 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C(C)C)CCNC2.
What is the InChIKey of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HHWHECCMUNIEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)14-8(3)13-10-6-12-5-4-9(10)11(14)15/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83883371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).