N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine

C16H27N3O — CID 80654787

IUPACN-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(COC2CCCC(CC)C2)n1
InChIInChI=1S/C16H27N3O/c1-4-13-7-6-8-14(10-13)20-11-16-18-12(3)9-15(19-16)17-5-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,17,18,19)
InChIKeyCEKAXVZVPCBEST-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine

N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine (PubChem CID 80654787) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine
PubChem CID80654787
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(COC2CCCC(CC)C2)n1
InChIInChI=1S/C16H27N3O/c1-4-13-7-6-8-14(10-13)20-11-16-18-12(3)9-15(19-16)17-5-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,17,18,19)
InChIKeyCEKAXVZVPCBEST-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine
CID 80654151
2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 80653990
2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 80654838
N-ethyl-2-(heptoxymethyl)-6-methylpyrimidin-4-amine
CID 80654218
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658060
N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
CID 79775261
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine
CID 80654217
2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 65413615
N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine
CID 80654781
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine (CID 80654787) is N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(COC2CCCC(CC)C2)n1.
What is the InChIKey of N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine?
The InChIKey is CEKAXVZVPCBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13-7-6-8-14(10-13)20-11-16-18-12(3)9-15(19-16)17-5-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine?
N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).