3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile

C12H19N5 — CID 80657126

IUPAC3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile
SMILESCCNc1cc(C)nc(CN(C)CCC#N)n1
InChIInChI=1S/C12H19N5/c1-4-14-11-8-10(2)15-12(16-11)9-17(3)7-5-6-13/h8H,4-5,7,9H2,1-3H3,(H,14,15,16)
InChIKeyCDVJIIPHWSBOLD-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.56
Rot. Bonds6

About 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile

3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile (PubChem CID 80657126) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile
PubChem CID80657126
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile
SMILESCCNc1cc(C)nc(CN(C)CCC#N)n1
InChIInChI=1S/C12H19N5/c1-4-14-11-8-10(2)15-12(16-11)9-17(3)7-5-6-13/h8H,4-5,7,9H2,1-3H3,(H,14,15,16)
InChIKeyCDVJIIPHWSBOLD-UHFFFAOYSA-N
XLogP1.56
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile 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-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528
N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
CID 80657417
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658060
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]propanenitrile
CID 80655565
N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
3-[[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]methyl]cyclobutan-1-ol
CID 80656901
2-[[2-methoxyethyl(methyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657360
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292
2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658321
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile?
The IUPAC name of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile (CID 80657126) is 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile.
What is the SMILES notation for 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile?
The canonical SMILES for 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile is CCNc1cc(C)nc(CN(C)CCC#N)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile?
The InChIKey is CDVJIIPHWSBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-14-11-8-10(2)15-12(16-11)9-17(3)7-5-6-13/h8H,4-5,7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile?
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile has a molecular weight of 233.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile is sourced from PubChem (CID 80657126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).