2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one

C14H18N4O2 — CID 20855180

IUPAC2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)n(CC3CCCO3)ccc2n1
InChIInChI=1S/C14H18N4O2/c1-17(2)14-15-8-11-12(16-14)5-6-18(13(11)19)9-10-4-3-7-20-10/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyOFURBAQLNIBKIG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.04
Rot. Bonds3

About 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one

2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 20855180) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one
PubChem CID20855180
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)n(CC3CCCO3)ccc2n1
InChIInChI=1S/C14H18N4O2/c1-17(2)14-15-8-11-12(16-14)5-6-18(13(11)19)9-10-4-3-7-20-10/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyOFURBAQLNIBKIG-UHFFFAOYSA-N
XLogP1.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one (CID 20855180) is 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one is CN(C)c1ncc2c(=O)n(CC3CCCO3)ccc2n1.
What is the InChIKey of 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is OFURBAQLNIBKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(2)14-15-8-11-12(16-14)5-6-18(13(11)19)9-10-4-3-7-20-10/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one?
2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 274.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 20855180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).