2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

C10H10ClN5O — CID 137035550

IUPAC2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C10H10ClN5O/c1-13-10-15-8(14-9(12)16-10)6-4-5(11)2-3-7(6)17/h2-4,17H,1H3,(H3,12,13,14,15,16)
InChIKeyGNZSQZKPAPYMRR-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.52
Rot. Bonds2

About 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (PubChem CID 137035550) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
PubChem CID137035550
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C10H10ClN5O/c1-13-10-15-8(14-9(12)16-10)6-4-5(11)2-3-7(6)17/h2-4,17H,1H3,(H3,12,13,14,15,16)
InChIKeyGNZSQZKPAPYMRR-UHFFFAOYSA-N
XLogP1.52
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826975
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 89433035
4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol
CID 10246865
5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide
CID 10157990
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155554540
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane
CID 159897076
6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 10155924
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 143039438
4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol
CID 54369095
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol
CID 155567928
5-(5-chloro-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977013

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The IUPAC name of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (CID 137035550) is 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.
What is the SMILES notation for 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The canonical SMILES for 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is CNc1nc(N)nc(-c2cc(Cl)ccc2O)n1.
What is the InChIKey of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The InChIKey is GNZSQZKPAPYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-13-10-15-8(14-9(12)16-10)6-4-5(11)2-3-7(6)17/h2-4,17H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol has a molecular weight of 251.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is sourced from PubChem (CID 137035550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).