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

C17H24ClN7 — CID 34700430

IUPAC6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H24ClN7/c1-23(2)17-21-15(20-16(19)22-17)12-25-9-7-24(8-10-25)11-13-3-5-14(18)6-4-13/h3-6H,7-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyRQOHKLMWYHUINH-UHFFFAOYSA-N
MW361.88 g/mol
LogP1.49
Rot. Bonds5

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

6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 34700430) has the molecular formula C17H24ClN7 and a molecular weight of 361.88 g/mol. Its IUPAC name is 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID34700430
Molecular FormulaC17H24ClN7
Molecular Weight361.88 g/mol
Exact Mass361.18
IUPAC Name6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H24ClN7/c1-23(2)17-21-15(20-16(19)22-17)12-25-9-7-24(8-10-25)11-13-3-5-14(18)6-4-13/h3-6H,7-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyRQOHKLMWYHUINH-UHFFFAOYSA-N
XLogP1.49
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 66507575
2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17449838
2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30721951
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 91960650
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 154575777
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 112628380
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 30834389

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 34700430) is 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RQOHKLMWYHUINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7/c1-23(2)17-21-15(20-16(19)22-17)12-25-9-7-24(8-10-25)11-13-3-5-14(18)6-4-13/h3-6H,7-12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 361.88 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34700430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).