1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine

C11H20N2 — CID 12762326

IUPAC1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1C1CCCCC1
InChIInChI=1S/C11H20N2/c1-10-12-8-5-9-13(10)11-6-3-2-4-7-11/h11H,2-9H2,1H3
InChIKeyFKYONBISVHBUKK-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.44
Rot. Bonds1

About 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine

1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 12762326) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID12762326
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1C1CCCCC1
InChIInChI=1S/C11H20N2/c1-10-12-8-5-9-13(10)11-6-3-2-4-7-11/h11H,2-9H2,1H3
InChIKeyFKYONBISVHBUKK-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine (CID 12762326) is 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine is CC1=NCCCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is FKYONBISVHBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-12-8-5-9-13(10)11-6-3-2-4-7-11/h11H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine?
1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 12762326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).