1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane

C14H22ClN3O — CID 145352443

IUPAC1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane
SMILESC/N=C/c1c(C)nc(C)nc1Cl.CC1CCCCO1
InChIInChI=1S/C8H10ClN3.C6H12O/c1-5-7(4-10-3)8(9)12-6(2)11-5;1-6-4-2-3-5-7-6/h4H,1-3H3;6H,2-5H2,1H3/b10-4+;
InChIKeyQSHOKPUEVXIPKW-FCVRUTMISA-N
MW283.80 g/mol
LogP3.37
Rot. Bonds1

About 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane

1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane (PubChem CID 145352443) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane
PubChem CID145352443
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane
SMILESC/N=C/c1c(C)nc(C)nc1Cl.CC1CCCCO1
InChIInChI=1S/C8H10ClN3.C6H12O/c1-5-7(4-10-3)8(9)12-6(2)11-5;1-6-4-2-3-5-7-6/h4H,1-3H3;6H,2-5H2,1H3/b10-4+;
InChIKeyQSHOKPUEVXIPKW-FCVRUTMISA-N
XLogP3.37
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane?
The IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane (CID 145352443) is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane?
The canonical SMILES for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane is C/N=C/c1c(C)nc(C)nc1Cl.CC1CCCCO1.
What is the InChIKey of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane?
The InChIKey is QSHOKPUEVXIPKW-FCVRUTMISA-N. The full InChI is InChI=1S/C8H10ClN3.C6H12O/c1-5-7(4-10-3)8(9)12-6(2)11-5;1-6-4-2-3-5-7-6/h4H,1-3H3;6H,2-5H2,1H3/b10-4+;.
What are the key properties of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane?
1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane has a molecular weight of 283.80 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane is sourced from PubChem (CID 145352443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).