4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H12Cl3N5 — CID 62869331

IUPAC4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12Cl3N5/c14-9-4-3-8(7-10(9)15)17-12-18-11(16)19-13(20-12)21-5-1-2-6-21/h3-4,7H,1-2,5-6H2,(H,17,18,19,20)
InChIKeyHUMDRZMMMNFZLO-UHFFFAOYSA-N
MW344.63 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62869331) has the molecular formula C13H12Cl3N5 and a molecular weight of 344.63 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62869331
Molecular FormulaC13H12Cl3N5
Molecular Weight344.63 g/mol
Exact Mass343.02
IUPAC Name4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12Cl3N5/c14-9-4-3-8(7-10(9)15)17-12-18-11(16)19-13(20-12)21-5-1-2-6-21/h3-4,7H,1-2,5-6H2,(H,17,18,19,20)
InChIKeyHUMDRZMMMNFZLO-UHFFFAOYSA-N
XLogP4.18
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107602258
4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79046218
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1256691
1-[4-(3,4-dichloroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
CID 155529376
N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911509
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79778687
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(3,4-dichloroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 169426364

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62869331) is 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HUMDRZMMMNFZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N5/c14-9-4-3-8(7-10(9)15)17-12-18-11(16)19-13(20-12)21-5-1-2-6-21/h3-4,7H,1-2,5-6H2,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 344.63 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).