4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine

C12H17ClN2O — CID 62386840

IUPAC4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
SMILESCCc1c(C)nc(C2CCOCC2)nc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-10-8(2)14-12(15-11(10)13)9-4-6-16-7-5-9/h9H,3-7H2,1-2H3
InChIKeySYKSIRZNWSEZPM-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.89
Rot. Bonds2

About 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine

4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine (PubChem CID 62386840) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
PubChem CID62386840
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
SMILESCCc1c(C)nc(C2CCOCC2)nc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-10-8(2)14-12(15-11(10)13)9-4-6-16-7-5-9/h9H,3-7H2,1-2H3
InChIKeySYKSIRZNWSEZPM-UHFFFAOYSA-N
XLogP2.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
CID 64981738
4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine
CID 80602537
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65334784
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
CID 112569454
2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65334731
N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
5-bromo-4-tert-butyl-6-chloro-2-(oxan-4-yl)pyrimidine
CID 66291956
4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 65334319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine (CID 62386840) is 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine is CCc1c(C)nc(C2CCOCC2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine?
The InChIKey is SYKSIRZNWSEZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-10-8(2)14-12(15-11(10)13)9-4-6-16-7-5-9/h9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine has a molecular weight of 240.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 62386840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).