N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine

C14H23N3 — CID 64915028

IUPACN-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
SMILESCCC1CCC(Nc2nc(C)cc(C)n2)C1C
InChIInChI=1S/C14H23N3/c1-5-12-6-7-13(11(12)4)17-14-15-9(2)8-10(3)16-14/h8,11-13H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIPAIZKPBYHHGME-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.33
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine

N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 64915028) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID64915028
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
SMILESCCC1CCC(Nc2nc(C)cc(C)n2)C1C
InChIInChI=1S/C14H23N3/c1-5-12-6-7-13(11(12)4)17-14-15-9(2)8-10(3)16-14/h8,11-13H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIPAIZKPBYHHGME-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine (CID 64915028) is N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine is CCC1CCC(Nc2nc(C)cc(C)n2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is IPAIZKPBYHHGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-12-6-7-13(11(12)4)17-14-15-9(2)8-10(3)16-14/h8,11-13H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine?
N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64915028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).