2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine

C13H14ClN3O — CID 114044056

IUPAC2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine
SMILESCc1ccc(Oc2nc(Cl)nc(C)c2N)c(C)c1
InChIInChI=1S/C13H14ClN3O/c1-7-4-5-10(8(2)6-7)18-12-11(15)9(3)16-13(14)17-12/h4-6H,15H2,1-3H3
InChIKeySPBQYNNYPJINGS-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine

2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine (PubChem CID 114044056) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine
PubChem CID114044056
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine
SMILESCc1ccc(Oc2nc(Cl)nc(C)c2N)c(C)c1
InChIInChI=1S/C13H14ClN3O/c1-7-4-5-10(8(2)6-7)18-12-11(15)9(3)16-13(14)17-12/h4-6H,15H2,1-3H3
InChIKeySPBQYNNYPJINGS-UHFFFAOYSA-N
XLogP3.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine (CID 114044056) is 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine is Cc1ccc(Oc2nc(Cl)nc(C)c2N)c(C)c1.
What is the InChIKey of 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine?
The InChIKey is SPBQYNNYPJINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-7-4-5-10(8(2)6-7)18-12-11(15)9(3)16-13(14)17-12/h4-6H,15H2,1-3H3.
What are the key properties of 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine?
2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine has a molecular weight of 263.73 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 114044056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).