4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine

C13H15ClN4O — CID 80763652

IUPAC4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H15ClN4O/c1-3-15-13-16-7-6-12(18-13)17-10-8-9(14)4-5-11(10)19-2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyBDRDTIVXNOJJBZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.31
Rot. Bonds5

About 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80763652) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80763652
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H15ClN4O/c1-3-15-13-16-7-6-12(18-13)17-10-8-9(14)4-5-11(10)19-2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyBDRDTIVXNOJJBZ-UHFFFAOYSA-N
XLogP3.31
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904349
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112904018
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904430
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883262
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904387
2-N-(2-tert-butylphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903352
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498
4-N-(2,5-dichlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905091

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80763652) is 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is BDRDTIVXNOJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-15-13-16-7-6-12(18-13)17-10-8-9(14)4-5-11(10)19-2/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 278.74 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80763652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).