3-cyclohexyl-2,6-dihydro-1H-pyrimidine

C10H18N2 — CID 70451832

IUPAC3-cyclohexyl-2,6-dihydro-1H-pyrimidine
SMILESC1=CN(C2CCCCC2)CNC1
InChIInChI=1S/C10H18N2/c1-2-5-10(6-3-1)12-8-4-7-11-9-12/h4,8,10-11H,1-3,5-7,9H2
InChIKeyLNTUNVRKVZSPDS-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.70
Rot. Bonds1

About 3-cyclohexyl-2,6-dihydro-1H-pyrimidine

3-cyclohexyl-2,6-dihydro-1H-pyrimidine (PubChem CID 70451832) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-cyclohexyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-cyclohexyl-2,6-dihydro-1H-pyrimidine
PubChem CID70451832
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-cyclohexyl-2,6-dihydro-1H-pyrimidine
SMILESC1=CN(C2CCCCC2)CNC1
InChIInChI=1S/C10H18N2/c1-2-5-10(6-3-1)12-8-4-7-11-9-12/h4,8,10-11H,1-3,5-7,9H2
InChIKeyLNTUNVRKVZSPDS-UHFFFAOYSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 3-cyclohexyl-2,6-dihydro-1H-pyrimidine (CID 70451832) is 3-cyclohexyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-cyclohexyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 3-cyclohexyl-2,6-dihydro-1H-pyrimidine is C1=CN(C2CCCCC2)CNC1.
What is the InChIKey of 3-cyclohexyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is LNTUNVRKVZSPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-5-10(6-3-1)12-8-4-7-11-9-12/h4,8,10-11H,1-3,5-7,9H2.
What are the key properties of 3-cyclohexyl-2,6-dihydro-1H-pyrimidine?
3-cyclohexyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 70451832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).