6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C10H10ClN5O — CID 80762521

IUPAC6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Nc2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C10H10ClN5O/c1-17-7-4-2-3-6(5-7)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyKUXOSRGVWBNWJE-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.86
Rot. Bonds3

About 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80762521) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80762521
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(Nc2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C10H10ClN5O/c1-17-7-4-2-3-6(5-7)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyKUXOSRGVWBNWJE-UHFFFAOYSA-N
XLogP1.86
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 57003414
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868168
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 35041524
(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine
CID 11740767
3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 115001203

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 80762521) is 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cccc(Nc2nc(N)nc(Cl)n2)c1.
What is the InChIKey of 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KUXOSRGVWBNWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-17-7-4-2-3-6(5-7)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 251.68 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80762521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).