1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine

C14H25FN2 — CID 163824276

IUPAC1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine
SMILESCCN1CC(C)CN=C1C1CCC(C)C(F)C1
InChIInChI=1S/C14H25FN2/c1-4-17-9-10(2)8-16-14(17)12-6-5-11(3)13(15)7-12/h10-13H,4-9H2,1-3H3
InChIKeyNYBQGEPODNXGGG-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.13
Rot. Bonds2

About 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine

1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 163824276) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID163824276
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine
SMILESCCN1CC(C)CN=C1C1CCC(C)C(F)C1
InChIInChI=1S/C14H25FN2/c1-4-17-9-10(2)8-16-14(17)12-6-5-11(3)13(15)7-12/h10-13H,4-9H2,1-3H3
InChIKeyNYBQGEPODNXGGG-UHFFFAOYSA-N
XLogP3.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine (CID 163824276) is 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine is CCN1CC(C)CN=C1C1CCC(C)C(F)C1.
What is the InChIKey of 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is NYBQGEPODNXGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2/c1-4-17-9-10(2)8-16-14(17)12-6-5-11(3)13(15)7-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine?
1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 240.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-fluoro-4-methylcyclohexyl)-5-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 163824276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).