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

C13H21N3O — CID 114737735

IUPAC2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCC(C)(OC)c1nc(C)c2c(n1)CCNC2
InChIInChI=1S/C13H21N3O/c1-5-13(3,17-4)12-15-9(2)10-8-14-7-6-11(10)16-12/h14H,5-8H2,1-4H3
InChIKeyJNCGMWLPMNPLJH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds3

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

2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737735) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737735
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCC(C)(OC)c1nc(C)c2c(n1)CCNC2
InChIInChI=1S/C13H21N3O/c1-5-13(3,17-4)12-15-9(2)10-8-14-7-6-11(10)16-12/h14H,5-8H2,1-4H3
InChIKeyJNCGMWLPMNPLJH-UHFFFAOYSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737735) is 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCC(C)(OC)c1nc(C)c2c(n1)CCNC2.
What is the InChIKey of 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is JNCGMWLPMNPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-13(3,17-4)12-15-9(2)10-8-14-7-6-11(10)16-12/h14H,5-8H2,1-4H3.
What are the key properties of 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 235.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).