2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine

C15H24N2O2 — CID 140629111

IUPAC2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine
SMILESCOc1ncc(C2CCC(C(C)C)CC2)c(OC)n1
InChIInChI=1S/C15H24N2O2/c1-10(2)11-5-7-12(8-6-11)13-9-16-15(19-4)17-14(13)18-3/h9-12H,5-8H2,1-4H3
InChIKeyPFZCHHSVNUNIEO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.42
Rot. Bonds4

About 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine

2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine (PubChem CID 140629111) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine
PubChem CID140629111
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine
SMILESCOc1ncc(C2CCC(C(C)C)CC2)c(OC)n1
InChIInChI=1S/C15H24N2O2/c1-10(2)11-5-7-12(8-6-11)13-9-16-15(19-4)17-14(13)18-3/h9-12H,5-8H2,1-4H3
InChIKeyPFZCHHSVNUNIEO-UHFFFAOYSA-N
XLogP3.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine (CID 140629111) is 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine is COc1ncc(C2CCC(C(C)C)CC2)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine?
The InChIKey is PFZCHHSVNUNIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)11-5-7-12(8-6-11)13-9-16-15(19-4)17-14(13)18-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine?
2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine has a molecular weight of 264.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine is sourced from PubChem (CID 140629111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).