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

C14H26N2 — CID 58717186

IUPAC1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC1CCC(N2CCCN=C2C(C)C)CC1
InChIInChI=1S/C14H26N2/c1-11(2)14-15-9-4-10-16(14)13-7-5-12(3)6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyGULSBERDUCUXNA-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.33
Rot. Bonds2

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

1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine (PubChem CID 58717186) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine
PubChem CID58717186
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC1CCC(N2CCCN=C2C(C)C)CC1
InChIInChI=1S/C14H26N2/c1-11(2)14-15-9-4-10-16(14)13-7-5-12(3)6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyGULSBERDUCUXNA-UHFFFAOYSA-N
XLogP3.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine (CID 58717186) is 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine is CC1CCC(N2CCCN=C2C(C)C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The InChIKey is GULSBERDUCUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)14-15-9-4-10-16(14)13-7-5-12(3)6-8-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine has a molecular weight of 222.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-propan-2-yl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 58717186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).