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

C19H26ClN7O — CID 66507388

IUPAC6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(c3ccccc3Cl)CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C19H26ClN7O/c20-15-5-1-2-6-16(15)27-9-7-26(8-10-27)13-17-23-18(21)25-19(24-17)22-12-14-4-3-11-28-14/h1-2,5-6,14H,3-4,7-13H2,(H3,21,22,23,24,25)
InChIKeyKOOCQORAGGLPII-UHFFFAOYSA-N
MW403.92 g/mol
LogP2.02
Rot. Bonds6

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

6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 66507388) has the molecular formula C19H26ClN7O and a molecular weight of 403.92 g/mol. Its IUPAC name is 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID66507388
Molecular FormulaC19H26ClN7O
Molecular Weight403.92 g/mol
Exact Mass403.19
IUPAC Name6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(c3ccccc3Cl)CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C19H26ClN7O/c20-15-5-1-2-6-16(15)27-9-7-26(8-10-27)13-17-23-18(21)25-19(24-17)22-12-14-4-3-11-28-14/h1-2,5-6,14H,3-4,7-13H2,(H3,21,22,23,24,25)
InChIKeyKOOCQORAGGLPII-UHFFFAOYSA-N
XLogP2.02
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

[4-[[4-amino-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 66507581
6-(4-benzylpiperazin-1-yl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 3494968
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 66507575
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 58809678
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
2-N-(3-chloro-4-methylphenyl)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 665892
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 42690864
7-chloro-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 45192151
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78835198
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 66507388) is 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(CN2CCN(c3ccccc3Cl)CC2)nc(NCC2CCCO2)n1.
What is the InChIKey of 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KOOCQORAGGLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7O/c20-15-5-1-2-6-16(15)27-9-7-26(8-10-27)13-17-23-18(21)25-19(24-17)22-12-14-4-3-11-28-14/h1-2,5-6,14H,3-4,7-13H2,(H3,21,22,23,24,25).
What are the key properties of 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 403.92 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66507388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).