N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine

C13H21N3O — CID 112684653

IUPACN-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
SMILESCCC1CCCCC1Nc1nccc(OC)n1
InChIInChI=1S/C13H21N3O/c1-3-10-6-4-5-7-11(10)15-13-14-9-8-12(16-13)17-2/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyUQQIFYUDDXDANP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.87
Rot. Bonds4

About N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine

N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine (PubChem CID 112684653) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
PubChem CID112684653
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
SMILESCCC1CCCCC1Nc1nccc(OC)n1
InChIInChI=1S/C13H21N3O/c1-3-10-6-4-5-7-11(10)15-13-14-9-8-12(16-13)17-2/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyUQQIFYUDDXDANP-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

2-[2-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]ethanol
CID 133496350
2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
CID 116795796
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
CID 112637950
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
4-methoxy-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 112547989
4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423
4-ethoxy-N-(2-ethylcyclohexyl)-6-methylpyrimidin-2-amine
CID 112637169
trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 146105827
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine (CID 112684653) is N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine is CCC1CCCCC1Nc1nccc(OC)n1.
What is the InChIKey of N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine?
The InChIKey is UQQIFYUDDXDANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10-6-4-5-7-11(10)15-13-14-9-8-12(16-13)17-2/h8-11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine?
N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 112684653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).