N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine

C13H21N3O — CID 114125798

IUPACN-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCCC1(CNc2nccc(OC)n2)CCCC1
InChIInChI=1S/C13H21N3O/c1-3-13(7-4-5-8-13)10-15-12-14-9-6-11(16-12)17-2/h6,9H,3-5,7-8,10H2,1-2H3,(H,14,15,16)
InChIKeyYJABZRXJUZYVKV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.87
Rot. Bonds5

About N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine

N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 114125798) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID114125798
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCCC1(CNc2nccc(OC)n2)CCCC1
InChIInChI=1S/C13H21N3O/c1-3-13(7-4-5-8-13)10-15-12-14-9-6-11(16-12)17-2/h6,9H,3-5,7-8,10H2,1-2H3,(H,14,15,16)
InChIKeyYJABZRXJUZYVKV-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-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

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 115457088
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975246
4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
CID 133491901
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 113244193
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 114102533
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine (CID 114125798) is N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine is CCC1(CNc2nccc(OC)n2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is YJABZRXJUZYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-13(7-4-5-8-13)10-15-12-14-9-6-11(16-12)17-2/h6,9H,3-5,7-8,10H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine?
N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 114125798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).