2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C13H19N3O — CID 114738420

IUPAC2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOC1(c2ncc3c(n2)CCNC3)CCCC1
InChIInChI=1S/C13H19N3O/c1-17-13(5-2-3-6-13)12-15-9-10-8-14-7-4-11(10)16-12/h9,14H,2-8H2,1H3
InChIKeyOOMPUXMGFNKXRE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.54
Rot. Bonds2

About 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738420) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738420
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOC1(c2ncc3c(n2)CCNC3)CCCC1
InChIInChI=1S/C13H19N3O/c1-17-13(5-2-3-6-13)12-15-9-10-8-14-7-4-11(10)16-12/h9,14H,2-8H2,1H3
InChIKeyOOMPUXMGFNKXRE-UHFFFAOYSA-N
XLogP1.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738420) is 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COC1(c2ncc3c(n2)CCNC3)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is OOMPUXMGFNKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-13(5-2-3-6-13)12-15-9-10-8-14-7-4-11(10)16-12/h9,14H,2-8H2,1H3.
What are the key properties of 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 233.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).