2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H18N2O — CID 58337282

IUPAC2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C(C)C)CCCC2
InChIInChI=1S/C12H18N2O/c1-8(2)11-9(3)13-10-6-4-5-7-14(10)12(11)15/h8H,4-7H2,1-3H3
InChIKeyWJDVFZRTKRTZIB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 58337282) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID58337282
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C(C)C)CCCC2
InChIInChI=1S/C12H18N2O/c1-8(2)11-9(3)13-10-6-4-5-7-14(10)12(11)15/h8H,4-7H2,1-3H3
InChIKeyWJDVFZRTKRTZIB-UHFFFAOYSA-N
XLogP2.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 58337282) is 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1C(C)C)CCCC2.
What is the InChIKey of 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WJDVFZRTKRTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)11-9(3)13-10-6-4-5-7-14(10)12(11)15/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 206.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58337282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).