3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile

C15H25N5 — CID 80977344

IUPAC3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile
SMILESCCNc1nc(C(C)(C)C)nc(N(C)CCC#N)c1C
InChIInChI=1S/C15H25N5/c1-7-17-12-11(2)13(20(6)10-8-9-16)19-14(18-12)15(3,4)5/h7-8,10H2,1-6H3,(H,17,18,19)
InChIKeyGBCZWFJGPUGVOU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.86
Rot. Bonds5

About 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile

3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile (PubChem CID 80977344) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile
PubChem CID80977344
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile
SMILESCCNc1nc(C(C)(C)C)nc(N(C)CCC#N)c1C
InChIInChI=1S/C15H25N5/c1-7-17-12-11(2)13(20(6)10-8-9-16)19-14(18-12)15(3,4)5/h7-8,10H2,1-6H3,(H,17,18,19)
InChIKeyGBCZWFJGPUGVOU-UHFFFAOYSA-N
XLogP2.86
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-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-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide
CID 80993837
2-tert-butyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80986621
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80993309
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80753514
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80994196
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80972894
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 81007045
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 81006399
6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80986177

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile?
The IUPAC name of 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile (CID 80977344) is 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile is CCNc1nc(C(C)(C)C)nc(N(C)CCC#N)c1C.
What is the InChIKey of 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile?
The InChIKey is GBCZWFJGPUGVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-7-17-12-11(2)13(20(6)10-8-9-16)19-14(18-12)15(3,4)5/h7-8,10H2,1-6H3,(H,17,18,19).
What are the key properties of 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile?
3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile has a molecular weight of 275.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile is sourced from PubChem (CID 80977344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).