3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

C16H21ClN6O2 — CID 59881868

IUPAC3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCCCN(CCO)c1nc(Cl)nc(Nc2cccc(C(=O)NC)c2)n1
InChIInChI=1S/C16H21ClN6O2/c1-3-7-23(8-9-24)16-21-14(17)20-15(22-16)19-12-6-4-5-11(10-12)13(25)18-2/h4-6,10,24H,3,7-9H2,1-2H3,(H,18,25)(H,19,20,21,22)
InChIKeyVSEGPWAFDYTLDR-UHFFFAOYSA-N
MW364.84 g/mol
LogP1.84
Rot. Bonds8

About 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (PubChem CID 59881868) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
PubChem CID59881868
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCCCN(CCO)c1nc(Cl)nc(Nc2cccc(C(=O)NC)c2)n1
InChIInChI=1S/C16H21ClN6O2/c1-3-7-23(8-9-24)16-21-14(17)20-15(22-16)19-12-6-4-5-11(10-12)13(25)18-2/h4-6,10,24H,3,7-9H2,1-2H3,(H,18,25)(H,19,20,21,22)
InChIKeyVSEGPWAFDYTLDR-UHFFFAOYSA-N
XLogP1.84
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109334170
7-[[4-[[4-[[4-chloro-6-[3-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid
CID 89179363
3-[[4-[[3-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-6,13-dichloro-4,11-disulfo-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]-6-(propylamino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 20693517
N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264701
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131
tetrasodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 14422805
5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 6108780
6-chloro-2-N-ethyl-2-N-methyl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 53418706
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylbenzamide
CID 88571946
N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (CID 59881868) is 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is CCCN(CCO)c1nc(Cl)nc(Nc2cccc(C(=O)NC)c2)n1.
What is the InChIKey of 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The InChIKey is VSEGPWAFDYTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O2/c1-3-7-23(8-9-24)16-21-14(17)20-15(22-16)19-12-6-4-5-11(10-12)13(25)18-2/h4-6,10,24H,3,7-9H2,1-2H3,(H,18,25)(H,19,20,21,22).
What are the key properties of 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide has a molecular weight of 364.84 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 59881868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).