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

C13H24N2 — CID 58914517

IUPAC2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCCC1=NCCCN1C1CCC(C)CC1
InChIInChI=1S/C13H24N2/c1-3-13-14-9-4-10-15(13)12-7-5-11(2)6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyGQBLJFQAWDDLNA-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.08
Rot. Bonds2

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

2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 58914517) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
PubChem CID58914517
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCCC1=NCCCN1C1CCC(C)CC1
InChIInChI=1S/C13H24N2/c1-3-13-14-9-4-10-15(13)12-7-5-11(2)6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyGQBLJFQAWDDLNA-UHFFFAOYSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (CID 58914517) is 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is CCC1=NCCCN1C1CCC(C)CC1.
What is the InChIKey of 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is GQBLJFQAWDDLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-13-14-9-4-10-15(13)12-7-5-11(2)6-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 208.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 58914517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).