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

C11H20N2 — CID 58717208

IUPAC1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1CCC(N2C=NCCC2)CC1
InChIInChI=1S/C11H20N2/c1-10-3-5-11(6-4-10)13-8-2-7-12-9-13/h9-11H,2-8H2,1H3
InChIKeySEDBXYRSTYHJME-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.30
Rot. Bonds1

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

1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 58717208) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
PubChem CID58717208
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1CCC(N2C=NCCC2)CC1
InChIInChI=1S/C11H20N2/c1-10-3-5-11(6-4-10)13-8-2-7-12-9-13/h9-11H,2-8H2,1H3
InChIKeySEDBXYRSTYHJME-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (CID 58717208) is 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is CC1CCC(N2C=NCCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is SEDBXYRSTYHJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-3-5-11(6-4-10)13-8-2-7-12-9-13/h9-11H,2-8H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 58717208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).