2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H21N3O2 — CID 102549249

IUPAC2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(nc(C3CC3)n1CC1CCCO1)CCNC2
InChIInChI=1S/C15H21N3O2/c19-15-12-8-16-6-5-13(12)17-14(10-3-4-10)18(15)9-11-2-1-7-20-11/h10-11,16H,1-9H2
InChIKeyUDVXTVUPJMGWGD-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.95
Rot. Bonds3

About 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 102549249) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID102549249
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(nc(C3CC3)n1CC1CCCO1)CCNC2
InChIInChI=1S/C15H21N3O2/c19-15-12-8-16-6-5-13(12)17-14(10-3-4-10)18(15)9-11-2-1-7-20-11/h10-11,16H,1-9H2
InChIKeyUDVXTVUPJMGWGD-UHFFFAOYSA-N
XLogP0.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 102549249) is 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1c2c(nc(C3CC3)n1CC1CCCO1)CCNC2.
What is the InChIKey of 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UDVXTVUPJMGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15-12-8-16-6-5-13(12)17-14(10-3-4-10)18(15)9-11-2-1-7-20-11/h10-11,16H,1-9H2.
What are the key properties of 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 102549249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).