6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 80966709

IUPAC6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC1CCCCC1Oc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-5-12-8-6-7-9-13(12)20-15-10-14(17-4)18-16(19-15)11(2)3/h10-13H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyPMPKHVNFULTDOO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.99
Rot. Bonds5

About 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80966709) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80966709
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC1CCCCC1Oc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-5-12-8-6-7-9-13(12)20-15-10-14(17-4)18-16(19-15)11(2)3/h10-13H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyPMPKHVNFULTDOO-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962707
6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961821
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962
4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961149
N-methyl-2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80962688
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 82454241
4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
[4-(2-ethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909980
4-(2-ethylcyclohexyl)oxy-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80844713
N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963004

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80966709) is 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine is CCC1CCCCC1Oc1cc(NC)nc(C(C)C)n1.
What is the InChIKey of 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is PMPKHVNFULTDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-12-8-6-7-9-13(12)20-15-10-14(17-4)18-16(19-15)11(2)3/h10-13H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80966709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).