2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

C16H26FN3O — CID 116776442

IUPAC2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OCC)CCCCC2)nc(C)c1F
InChIInChI=1S/C16H26FN3O/c1-4-11-18-14-13(17)12(3)19-15(20-14)16(21-5-2)9-7-6-8-10-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyLUVFNRFXXWJATH-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.94
Rot. Bonds6

About 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116776442) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116776442
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OCC)CCCCC2)nc(C)c1F
InChIInChI=1S/C16H26FN3O/c1-4-11-18-14-13(17)12(3)19-15(20-14)16(21-5-2)9-7-6-8-10-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyLUVFNRFXXWJATH-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776421
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775825
2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775828
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
CID 116746038
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (CID 116776442) is 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2(OCC)CCCCC2)nc(C)c1F.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is LUVFNRFXXWJATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-11-18-14-13(17)12(3)19-15(20-14)16(21-5-2)9-7-6-8-10-16/h4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 295.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).