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

C12H20N4O — CID 151202792

IUPAC2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCN1CCc2nc(N(C)C)[nH]c(=O)c2C1
InChIInChI=1S/C12H20N4O/c1-4-6-16-7-5-10-9(8-16)11(17)14-12(13-10)15(2)3/h4-8H2,1-3H3,(H,13,14,17)
InChIKeyNIQSGFPHZWQUIA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds3

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

2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 151202792) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID151202792
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCN1CCc2nc(N(C)C)[nH]c(=O)c2C1
InChIInChI=1S/C12H20N4O/c1-4-6-16-7-5-10-9(8-16)11(17)14-12(13-10)15(2)3/h4-8H2,1-3H3,(H,13,14,17)
InChIKeyNIQSGFPHZWQUIA-UHFFFAOYSA-N
XLogP0.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 151202792) is 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCN1CCc2nc(N(C)C)[nH]c(=O)c2C1.
What is the InChIKey of 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NIQSGFPHZWQUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-6-16-7-5-10-9(8-16)11(17)14-12(13-10)15(2)3/h4-8H2,1-3H3,(H,13,14,17).
What are the key properties of 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 151202792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).