1-cyclohexyl-4,6-dimethyl-2H-pyrimidine

C12H20N2 — CID 67682828

IUPAC1-cyclohexyl-4,6-dimethyl-2H-pyrimidine
SMILESCC1=CC(C)=NCN1C1CCCCC1
InChIInChI=1S/C12H20N2/c1-10-8-11(2)14(9-13-10)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyKCMKIOQTSXSCBO-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.96
Rot. Bonds1

About 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine

1-cyclohexyl-4,6-dimethyl-2H-pyrimidine (PubChem CID 67682828) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine.

Molecular Properties

Compound Name1-cyclohexyl-4,6-dimethyl-2H-pyrimidine
PubChem CID67682828
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-cyclohexyl-4,6-dimethyl-2H-pyrimidine
SMILESCC1=CC(C)=NCN1C1CCCCC1
InChIInChI=1S/C12H20N2/c1-10-8-11(2)14(9-13-10)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyKCMKIOQTSXSCBO-UHFFFAOYSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine?
The IUPAC name of 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine (CID 67682828) is 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine.
What is the SMILES notation for 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine?
The canonical SMILES for 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine is CC1=CC(C)=NCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine?
The InChIKey is KCMKIOQTSXSCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-8-11(2)14(9-13-10)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine?
1-cyclohexyl-4,6-dimethyl-2H-pyrimidine has a molecular weight of 192.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,6-dimethyl-2H-pyrimidine is sourced from PubChem (CID 67682828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).