2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine

C16H27N3O — CID 116776078

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2(OCC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O/c1-4-11-17-14-8-12-18-15(19-14)16(20-5-2)9-6-13(3)7-10-16/h8,12-13H,4-7,9-11H2,1-3H3,(H,17,18,19)
InChIKeyCUBGXGBJTDHZAA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds6

About 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine

2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine (PubChem CID 116776078) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
PubChem CID116776078
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2(OCC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O/c1-4-11-17-14-8-12-18-15(19-14)16(20-5-2)9-6-13(3)7-10-16/h8,12-13H,4-7,9-11H2,1-3H3,(H,17,18,19)
InChIKeyCUBGXGBJTDHZAA-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116778768
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039
2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine
CID 63078296
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
2-methoxy-N-[[2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778595
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778805
2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 116777104

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine (CID 116776078) is 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(C2(OCC)CCC(C)CC2)n1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
The InChIKey is CUBGXGBJTDHZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-11-17-14-8-12-18-15(19-14)16(20-5-2)9-6-13(3)7-10-16/h8,12-13H,4-7,9-11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).