N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C12H13ClN4O2 — CID 887238

IUPACN-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccc(Cl)cc2)nc(OC)n1
InChIInChI=1S/C12H13ClN4O2/c1-18-11-15-10(16-12(17-11)19-2)14-7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,15,16,17)
InChIKeyINUSAVDNOHCLDU-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.15
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 887238) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID887238
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC NameN-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccc(Cl)cc2)nc(OC)n1
InChIInChI=1S/C12H13ClN4O2/c1-18-11-15-10(16-12(17-11)19-2)14-7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,15,16,17)
InChIKeyINUSAVDNOHCLDU-UHFFFAOYSA-N
XLogP2.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 887238) is N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NCc2ccc(Cl)cc2)nc(OC)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is INUSAVDNOHCLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-18-11-15-10(16-12(17-11)19-2)14-7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 887238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).