4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine

C13H15ClN4 — CID 80766149

IUPAC4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4/c1-2-15-13-16-8-7-12(18-13)17-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H2,15,16,17,18)
InChIKeyQZJXRFSLGDPZLU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.17
Rot. Bonds5

About 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine

4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80766149) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80766149
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4/c1-2-15-13-16-8-7-12(18-13)17-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H2,15,16,17,18)
InChIKeyQZJXRFSLGDPZLU-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butyl-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112883014
4-N-[(4-chlorophenyl)methyl]-2-N-pentylpyrimidine-2,4-diamine
CID 112891913
4-N-[(4-chlorophenyl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885863
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891919
4-N-[(4-chlorophenyl)methyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112891930
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112891882
2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891979
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine (CID 80766149) is 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is QZJXRFSLGDPZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-15-13-16-8-7-12(18-13)17-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80766149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).