5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine

C19H19Cl2N5 — CID 134112066

IUPAC5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)c(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19Cl2N5/c1-2-15-17(18(22)26-19(23)25-15)12-5-8-14(21)16(9-12)24-10-11-3-6-13(20)7-4-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)
InChIKeyFOGRNSXIFBWZCO-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.79
Rot. Bonds5

About 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine

5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 134112066) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
PubChem CID134112066
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)c(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19Cl2N5/c1-2-15-17(18(22)26-19(23)25-15)12-5-8-14(21)16(9-12)24-10-11-3-6-13(20)7-4-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)
InChIKeyFOGRNSXIFBWZCO-UHFFFAOYSA-N
XLogP4.79
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
5-[4-chloro-3-(cyclopentylamino)phenyl]-6-ethylpyrimidine-2,4-diamine;trihydrochloride
CID 134124738
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
5-[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
CID 14278798
4-aminobenzenesulfonamide;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 70020180
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
5-[2-(4-chlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11417648
5-[4-[(3,5-difluoro-4-methylsulfonylphenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
CID 11683469
5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11452730
5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
CID 24670027
diethyl (2S)-2-[[4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-nitroanilino]methyl]benzoyl]amino]pentanedioate
CID 10817269
4-(2,4-diamino-6-ethylpyrimidin-5-yl)benzaldehyde
CID 86061883

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine (CID 134112066) is 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(Cl)c(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is FOGRNSXIFBWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c1-2-15-17(18(22)26-19(23)25-15)12-5-8-14(21)16(9-12)24-10-11-3-6-13(20)7-4-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26).
What are the key properties of 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine?
5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 388.30 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 134112066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).