4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine

C10H12Cl2N2O — CID 63612834

IUPAC4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CCOCC2)nc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6-8(11)13-10(14-9(6)12)7-2-4-15-5-3-7/h7H,2-5H2,1H3
InChIKeyZYZXYCWUAQTFIJ-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.99
Rot. Bonds1

About 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine

4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine (PubChem CID 63612834) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine
PubChem CID63612834
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CCOCC2)nc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6-8(11)13-10(14-9(6)12)7-2-4-15-5-3-7/h7H,2-5H2,1H3
InChIKeyZYZXYCWUAQTFIJ-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine (CID 63612834) is 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine is Cc1c(Cl)nc(C2CCOCC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine?
The InChIKey is ZYZXYCWUAQTFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6-8(11)13-10(14-9(6)12)7-2-4-15-5-3-7/h7H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine?
4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine has a molecular weight of 247.12 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 63612834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).