2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine

C16H27N3 — CID 65413615

IUPAC2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(C2CCCC(CC)C2)n1
InChIInChI=1S/C16H27N3/c1-4-9-17-15-10-12(3)18-16(19-15)14-8-6-7-13(5-2)11-14/h10,13-14H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyPBAGGSZYHTYYGY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.29
Rot. Bonds5

About 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine

2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 65413615) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID65413615
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(C2CCCC(CC)C2)n1
InChIInChI=1S/C16H27N3/c1-4-9-17-15-10-12(3)18-16(19-15)14-8-6-7-13(5-2)11-14/h10,13-14H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyPBAGGSZYHTYYGY-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanol
CID 65415858
N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65415249
6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 65413827
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681
1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 65414649
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
6-ethyl-2-(4-ethylcyclohexyl)-N-propylpyrimidin-4-amine
CID 65390933
2-N-(3-ethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80840757
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
N-ethyl-2-(3-ethylcyclohexyl)pyrimidin-4-amine
CID 65413212

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine (CID 65413615) is 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(C2CCCC(CC)C2)n1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is PBAGGSZYHTYYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-9-17-15-10-12(3)18-16(19-15)14-8-6-7-13(5-2)11-14/h10,13-14H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65413615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).