2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile

C13H20N4 — CID 68695696

IUPAC2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile
SMILESCCCN(CCC)c1ncc(C)c(CC#N)n1
InChIInChI=1S/C13H20N4/c1-4-8-17(9-5-2)13-15-10-11(3)12(16-13)6-7-14/h10H,4-6,8-9H2,1-3H3
InChIKeyLKKJIRWTTJTKCG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile

2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile (PubChem CID 68695696) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile
PubChem CID68695696
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile
SMILESCCCN(CCC)c1ncc(C)c(CC#N)n1
InChIInChI=1S/C13H20N4/c1-4-8-17(9-5-2)13-15-10-11(3)12(16-13)6-7-14/h10H,4-6,8-9H2,1-3H3
InChIKeyLKKJIRWTTJTKCG-UHFFFAOYSA-N
XLogP2.48
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]acetonitrile
CID 68697598
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
N,N-dibutyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83185864
N'-(4-ethyl-5-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279506
2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
CID 68696826
2-(3-methylquinolin-2-yl)acetonitrile
CID 55167268
4-ethyl-N,N-dipropylpyrimidin-2-amine
CID 71106821
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
N-butyl-5-ethyl-N-propylpyrimidin-2-amine
CID 71107630
2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile?
The IUPAC name of 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile (CID 68695696) is 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile is CCCN(CCC)c1ncc(C)c(CC#N)n1.
What is the InChIKey of 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile?
The InChIKey is LKKJIRWTTJTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-8-17(9-5-2)13-15-10-11(3)12(16-13)6-7-14/h10H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile?
2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)-5-methylpyrimidin-4-yl]acetonitrile is sourced from PubChem (CID 68695696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).