2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile

C11H14N4 — CID 112708628

IUPAC2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile
SMILESCC(C#N)c1ncnc2c1CN(C)CC2
InChIInChI=1S/C11H14N4/c1-8(5-12)11-9-6-15(2)4-3-10(9)13-7-14-11/h7-8H,3-4,6H2,1-2H3
InChIKeyQNJGGXLNYWCGIY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.09
Rot. Bonds1

About 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile

2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile (PubChem CID 112708628) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile.

Molecular Properties

Compound Name2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile
PubChem CID112708628
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile
SMILESCC(C#N)c1ncnc2c1CN(C)CC2
InChIInChI=1S/C11H14N4/c1-8(5-12)11-9-6-15(2)4-3-10(9)13-7-14-11/h7-8H,3-4,6H2,1-2H3
InChIKeyQNJGGXLNYWCGIY-UHFFFAOYSA-N
XLogP1.09
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile?
The IUPAC name of 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile (CID 112708628) is 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile.
What is the SMILES notation for 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile?
The canonical SMILES for 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile is CC(C#N)c1ncnc2c1CN(C)CC2.
What is the InChIKey of 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile?
The InChIKey is QNJGGXLNYWCGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(5-12)11-9-6-15(2)4-3-10(9)13-7-14-11/h7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile?
2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile has a molecular weight of 202.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile is sourced from PubChem (CID 112708628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).