5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine

C19H20ClN5 — CID 11508639

IUPAC5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-3-12(4-6-13)11-23-15-9-7-14(20)8-10-15/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25)
InChIKeyDVVRFOFXTWNJKJ-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.14
Rot. Bonds5

About 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine

5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 11508639) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine
PubChem CID11508639
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-3-12(4-6-13)11-23-15-9-7-14(20)8-10-15/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25)
InChIKeyDVVRFOFXTWNJKJ-UHFFFAOYSA-N
XLogP4.14
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimethamine
CID 4993
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
Psncbam-1
CID 11560249
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine (CID 11508639) is 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is DVVRFOFXTWNJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-2-16-17(18(21)25-19(22)24-16)13-5-3-12(4-6-13)11-23-15-9-7-14(20)8-10-15/h3-10,23H,2,11H2,1H3,(H4,21,22,24,25).
What are the key properties of 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine?
5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 353.86 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chloroanilino)methyl]phenyl]-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 11508639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).