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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Related Compounds

3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile
CID 82623202
1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one
CID 83859099
4-[(1S)-1-aminoethyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 83859124
ethane;2-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzonitrile
CID 91278482
5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105473125
4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129418475
2-methyl-5-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 146077498
2-methyl-1-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)propan-1-amine
CID 83848740
6-methyl-4-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 127418120
2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile
CID 84779244
2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 171723497
4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 118338079

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).