4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine

C10H13ClN2O — CID 62386473

IUPAC4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
SMILESCc1cc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C10H13ClN2O/c1-7-6-9(11)13-10(12-7)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3
InChIKeyGCHUNTUKQQSXDH-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine

4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine (PubChem CID 62386473) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
PubChem CID62386473
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
SMILESCc1cc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C10H13ClN2O/c1-7-6-9(11)13-10(12-7)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3
InChIKeyGCHUNTUKQQSXDH-UHFFFAOYSA-N
XLogP2.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine (CID 62386473) is 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine is Cc1cc(Cl)nc(C2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine?
The InChIKey is GCHUNTUKQQSXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-6-9(11)13-10(12-7)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine?
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine has a molecular weight of 212.68 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 62386473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).