6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine

C16H27N3O — CID 66324652

IUPAC6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(Nc2cc(OCC)nc(C)n2)CC1
InChIInChI=1S/C16H27N3O/c1-4-6-13-7-9-14(10-8-13)19-15-11-16(20-5-2)18-12(3)17-15/h11,13-14H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyBENOXCFGVLHTRT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.95
Rot. Bonds6

About 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine

6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine (PubChem CID 66324652) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
PubChem CID66324652
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(Nc2cc(OCC)nc(C)n2)CC1
InChIInChI=1S/C16H27N3O/c1-4-6-13-7-9-14(10-8-13)19-15-11-16(20-5-2)18-12(3)17-15/h11,13-14H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyBENOXCFGVLHTRT-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 66325264
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
6-ethoxy-N-(2-ethylcyclohexyl)-2-methylpyrimidin-4-amine
CID 66327527
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202
6-ethoxy-2-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66326709
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
N-(4-propylcyclohexyl)quinoxalin-2-amine
CID 63541975
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 115306618

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine (CID 66324652) is 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine is CCCC1CCC(Nc2cc(OCC)nc(C)n2)CC1.
What is the InChIKey of 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
The InChIKey is BENOXCFGVLHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-13-7-9-14(10-8-13)19-15-11-16(20-5-2)18-12(3)17-15/h11,13-14H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66324652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).