4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine

C13H20N2 — CID 139479300

IUPAC4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine
SMILESC=C1C=C(CC2CCCCC2)N=C(C)N1
InChIInChI=1S/C13H20N2/c1-10-8-13(15-11(2)14-10)9-12-6-4-3-5-7-12/h8,12H,1,3-7,9H2,2H3,(H,14,15)
InChIKeyXGOBBRZEVGYHRB-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.38
Rot. Bonds2

About 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine

4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine (PubChem CID 139479300) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine
PubChem CID139479300
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine
SMILESC=C1C=C(CC2CCCCC2)N=C(C)N1
InChIInChI=1S/C13H20N2/c1-10-8-13(15-11(2)14-10)9-12-6-4-3-5-7-12/h8,12H,1,3-7,9H2,2H3,(H,14,15)
InChIKeyXGOBBRZEVGYHRB-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine?
The IUPAC name of 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine (CID 139479300) is 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine?
The canonical SMILES for 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine is C=C1C=C(CC2CCCCC2)N=C(C)N1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine?
The InChIKey is XGOBBRZEVGYHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-8-13(15-11(2)14-10)9-12-6-4-3-5-7-12/h8,12H,1,3-7,9H2,2H3,(H,14,15).
What are the key properties of 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine?
4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine has a molecular weight of 204.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine is sourced from PubChem (CID 139479300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).