2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol

C13H15Cl2N5O2 — CID 58799107

IUPAC2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCc1ccc(Nc2nc(Cl)nc(NC(CO)CO)n2)cc1Cl
InChIInChI=1S/C13H15Cl2N5O2/c1-7-2-3-8(4-10(7)14)16-12-18-11(15)19-13(20-12)17-9(5-21)6-22/h2-4,9,21-22H,5-6H2,1H3,(H2,16,17,18,19,20)
InChIKeyPOXYTKQXJXWPAY-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.00
Rot. Bonds6

About 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol

2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol (PubChem CID 58799107) has the molecular formula C13H15Cl2N5O2 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
PubChem CID58799107
Molecular FormulaC13H15Cl2N5O2
Molecular Weight344.20 g/mol
Exact Mass343.06
IUPAC Name2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCc1ccc(Nc2nc(Cl)nc(NC(CO)CO)n2)cc1Cl
InChIInChI=1S/C13H15Cl2N5O2/c1-7-2-3-8(4-10(7)14)16-12-18-11(15)19-13(20-12)17-9(5-21)6-22/h2-4,9,21-22H,5-6H2,1H3,(H2,16,17,18,19,20)
InChIKeyPOXYTKQXJXWPAY-UHFFFAOYSA-N
XLogP2.00
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol with MolForge

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Related Compounds

2-[[4-chloro-6-(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 102396474
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
2-[[4,6-bis(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 90392504
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
2-N-butan-2-yl-4-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909155
4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 20645289
2-N-(3-chloro-4-methylphenyl)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916687
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
4-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 59346269
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol (CID 58799107) is 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol is Cc1ccc(Nc2nc(Cl)nc(NC(CO)CO)n2)cc1Cl.
What is the InChIKey of 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The InChIKey is POXYTKQXJXWPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5O2/c1-7-2-3-8(4-10(7)14)16-12-18-11(15)19-13(20-12)17-9(5-21)6-22/h2-4,9,21-22H,5-6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol has a molecular weight of 344.20 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol is sourced from PubChem (CID 58799107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).