N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine

C13H21N3 — CID 115880999

IUPACN-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC2CCC(C)(C)C2)ncn1
InChIInChI=1S/C13H21N3/c1-4-10-7-12(15-9-14-10)16-11-5-6-13(2,3)8-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMCBYOUXFXJZUKB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.03
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine

N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine (PubChem CID 115880999) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
PubChem CID115880999
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC2CCC(C)(C)C2)ncn1
InChIInChI=1S/C13H21N3/c1-4-10-7-12(15-9-14-10)16-11-5-6-13(2,3)8-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMCBYOUXFXJZUKB-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine 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

6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 144655156
N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
CID 114547927
6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 61240888
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
CID 55248845
4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 114542211
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361
4-N-(3,3-dimethylcyclopentyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114542094
6-N-methyl-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,6-diamine
CID 103968628

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine (CID 115880999) is N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine is CCc1cc(NC2CCC(C)(C)C2)ncn1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine?
The InChIKey is MCBYOUXFXJZUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-10-7-12(15-9-14-10)16-11-5-6-13(2,3)8-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine?
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 115880999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).