2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H14ClN5O — CID 80785749

IUPAC2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2ccccc2Cl)nc(OC)n1
InChIInChI=1S/C12H14ClN5O/c1-14-10-16-11(18-12(17-10)19-2)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOAFOVFRHFGUREF-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.19
Rot. Bonds5

About 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80785749) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80785749
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2ccccc2Cl)nc(OC)n1
InChIInChI=1S/C12H14ClN5O/c1-14-10-16-11(18-12(17-10)19-2)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOAFOVFRHFGUREF-UHFFFAOYSA-N
XLogP2.19
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 103291519
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
6-methoxy-4-N-methyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80821680
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80791524
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772014
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine
CID 43261047
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80785749) is 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NCc2ccccc2Cl)nc(OC)n1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OAFOVFRHFGUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-14-10-16-11(18-12(17-10)19-2)15-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.73 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80785749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).