4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine

C11H15ClN2O — CID 62386659

IUPAC4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine
SMILESCc1nc(C2CCOCC2)nc(Cl)c1C
InChIInChI=1S/C11H15ClN2O/c1-7-8(2)13-11(14-10(7)12)9-3-5-15-6-4-9/h9H,3-6H2,1-2H3
InChIKeyPNZGGCQQLKIMQN-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.64
Rot. Bonds1

About 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine

4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine (PubChem CID 62386659) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine
PubChem CID62386659
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine
SMILESCc1nc(C2CCOCC2)nc(Cl)c1C
InChIInChI=1S/C11H15ClN2O/c1-7-8(2)13-11(14-10(7)12)9-3-5-15-6-4-9/h9H,3-6H2,1-2H3
InChIKeyPNZGGCQQLKIMQN-UHFFFAOYSA-N
XLogP2.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine (CID 62386659) is 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine is Cc1nc(C2CCOCC2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine?
The InChIKey is PNZGGCQQLKIMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-8(2)13-11(14-10(7)12)9-3-5-15-6-4-9/h9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine?
4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine has a molecular weight of 226.71 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 62386659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).