2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine

C15H20ClN5 — CID 21348659

IUPAC2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(Cl)cc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C15H20ClN5/c1-3-13(9-6-11-4-7-12(16)8-5-11)20-15-19-10(2)18-14(17)21-15/h4-5,7-8,13H,3,6,9H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyCISSFCKNLPRALT-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.24
Rot. Bonds6

About 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 21348659) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID21348659
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(Cl)cc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C15H20ClN5/c1-3-13(9-6-11-4-7-12(16)8-5-11)20-15-19-10(2)18-14(17)21-15/h4-5,7-8,13H,3,6,9H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyCISSFCKNLPRALT-UHFFFAOYSA-N
XLogP3.24
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348651
2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348639
6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine
CID 21348603
2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090905
ethyl 2-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]pentyl]benzoate
CID 21348582
4-chloro-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine;2-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 169424124
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
CID 69021028
6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 21348568
6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 21348569
methyl 2-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate
CID 21349336
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80779012

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 21348659) is 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is CCC(CCc1ccc(Cl)cc1)Nc1nc(C)nc(N)n1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CISSFCKNLPRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-3-13(9-6-11-4-7-12(16)8-5-11)20-15-19-10(2)18-14(17)21-15/h4-5,7-8,13H,3,6,9H2,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).