2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine

C14H26N2 — CID 21486755

IUPAC2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine
SMILESCC1CC(N2C=CCNC2C)CC(C)(C)C1
InChIInChI=1S/C14H26N2/c1-11-8-13(10-14(3,4)9-11)16-7-5-6-15-12(16)2/h5,7,11-13,15H,6,8-10H2,1-4H3
InChIKeyAIXAPGDWUXCNLE-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.97
Rot. Bonds1

About 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine

2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine (PubChem CID 21486755) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine
PubChem CID21486755
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine
SMILESCC1CC(N2C=CCNC2C)CC(C)(C)C1
InChIInChI=1S/C14H26N2/c1-11-8-13(10-14(3,4)9-11)16-7-5-6-15-12(16)2/h5,7,11-13,15H,6,8-10H2,1-4H3
InChIKeyAIXAPGDWUXCNLE-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine (CID 21486755) is 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine is CC1CC(N2C=CCNC2C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine?
The InChIKey is AIXAPGDWUXCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-8-13(10-14(3,4)9-11)16-7-5-6-15-12(16)2/h5,7,11-13,15H,6,8-10H2,1-4H3.
What are the key properties of 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine?
2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine has a molecular weight of 222.38 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3,3,5-trimethylcyclohexyl)-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 21486755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).