4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine

C15H18N2O2 — CID 139331961

IUPAC4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine
SMILESCOc1ncnc(OC)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)11-5-7-12(8-6-11)13-14(18-3)16-9-17-15(13)19-4/h5-10H,1-4H3
InChIKeyZZKHBZCGRXHCAL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.28
Rot. Bonds4

About 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine

4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine (PubChem CID 139331961) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine
PubChem CID139331961
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine
SMILESCOc1ncnc(OC)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)11-5-7-12(8-6-11)13-14(18-3)16-9-17-15(13)19-4/h5-10H,1-4H3
InChIKeyZZKHBZCGRXHCAL-UHFFFAOYSA-N
XLogP3.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine (CID 139331961) is 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine is COc1ncnc(OC)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine?
The InChIKey is ZZKHBZCGRXHCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)11-5-7-12(8-6-11)13-14(18-3)16-9-17-15(13)19-4/h5-10H,1-4H3.
What are the key properties of 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine?
4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine has a molecular weight of 258.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine is sourced from PubChem (CID 139331961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).