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

C9H13N3O — CID 115649780

IUPAC2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCc1ncc2c(n1)CCNC2
InChIInChI=1S/C9H13N3O/c1-13-6-9-11-5-7-4-10-3-2-8(7)12-9/h5,10H,2-4,6H2,1H3
InChIKeyWPQXVOVMAFZVRM-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.27
Rot. Bonds2

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

2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 115649780) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID115649780
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCc1ncc2c(n1)CCNC2
InChIInChI=1S/C9H13N3O/c1-13-6-9-11-5-7-4-10-3-2-8(7)12-9/h5,10H,2-4,6H2,1H3
InChIKeyWPQXVOVMAFZVRM-UHFFFAOYSA-N
XLogP0.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 115649780) is 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COCc1ncc2c(n1)CCNC2.
What is the InChIKey of 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is WPQXVOVMAFZVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-6-9-11-5-7-4-10-3-2-8(7)12-9/h5,10H,2-4,6H2,1H3.
What are the key properties of 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 179.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 115649780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).