4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine

C13H16ClN5 — CID 80754804

IUPAC4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2ccc(C)cc2Cl)nc(N)n1
InChIInChI=1S/C13H16ClN5/c1-3-16-11-7-12(19-13(15)18-11)17-10-5-4-8(2)6-9(10)14/h4-7H,3H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyIGEPEFWDBHDUGY-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.20
Rot. Bonds4

About 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine

4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80754804) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80754804
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2ccc(C)cc2Cl)nc(N)n1
InChIInChI=1S/C13H16ClN5/c1-3-16-11-7-12(19-13(15)18-11)17-10-5-4-8(2)6-9(10)14/h4-7H,3H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyIGEPEFWDBHDUGY-UHFFFAOYSA-N
XLogP3.20
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768233
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80797550

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine (CID 80754804) is 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(Nc2ccc(C)cc2Cl)nc(N)n1.
What is the InChIKey of 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is IGEPEFWDBHDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-3-16-11-7-12(19-13(15)18-11)17-10-5-4-8(2)6-9(10)14/h4-7H,3H2,1-2H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 277.76 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80754804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).