5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine

C13H15ClN4O — CID 134104196

IUPAC5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1OCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c1-8-11(12(15)18-13(16)17-8)19-7-6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H4,15,16,17,18)
InChIKeyBSXNSHLLIPXHKV-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.22
Rot. Bonds4

About 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine

5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine (PubChem CID 134104196) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine
PubChem CID134104196
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1OCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c1-8-11(12(15)18-13(16)17-8)19-7-6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H4,15,16,17,18)
InChIKeyBSXNSHLLIPXHKV-UHFFFAOYSA-N
XLogP2.22
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-(4-phenoxybutoxy)pyrimidine-2,4-diamine;hydrate;hydrochloride
CID 44522577
5-[3-(4-chlorophenyl)propoxy]quinazoline-2,4-diamine
CID 11558965
5-[3-[4-(4-chlorophenyl)phenoxy]propoxy]-6-ethylpyrimidine-2,4-diamine
CID 12803793
5-[3-(2-chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44531878
5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine
CID 142789376
2-(4-chlorophenyl)ethyl carbamate
CID 90103604
5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine
CID 19955527
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid
CID 142721426
5-butoxy-N-[2-(4-chlorophenyl)ethylsulfamoyl]-3,4,6-trimethylpyridin-2-amine
CID 130244535
4-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]aniline
CID 43519772

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine (CID 134104196) is 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1OCCc1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine?
The InChIKey is BSXNSHLLIPXHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-11(12(15)18-13(16)17-8)19-7-6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine?
5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine has a molecular weight of 278.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 134104196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).