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

C12H22N2 — CID 58914533

IUPAC1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1CCC(C2=NCCCN2C)CC1
InChIInChI=1S/C12H22N2/c1-10-4-6-11(7-5-10)12-13-8-3-9-14(12)2/h10-11H,3-9H2,1-2H3
InChIKeyZOKGDNYKMJXHPZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.55
Rot. Bonds1

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

1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 58914533) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
PubChem CID58914533
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1CCC(C2=NCCCN2C)CC1
InChIInChI=1S/C12H22N2/c1-10-4-6-11(7-5-10)12-13-8-3-9-14(12)2/h10-11H,3-9H2,1-2H3
InChIKeyZOKGDNYKMJXHPZ-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (CID 58914533) is 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is CC1CCC(C2=NCCCN2C)CC1.
What is the InChIKey of 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is ZOKGDNYKMJXHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10-4-6-11(7-5-10)12-13-8-3-9-14(12)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 194.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 58914533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).