4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine

C11H11ClN4O — CID 83240227

IUPAC4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(Cc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C11H11ClN4O/c1-17-8-4-2-7(3-5-8)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyUCJNWVVSHYSWEX-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.71
Rot. Bonds3

About 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 83240227) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID83240227
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(Cc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C11H11ClN4O/c1-17-8-4-2-7(3-5-8)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyUCJNWVVSHYSWEX-UHFFFAOYSA-N
XLogP1.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
CID 58039547
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083645
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
4-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine
CID 66293431
4-chloro-5-iodo-6-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrimidine
CID 66292026
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 83241885
4-chloro-6-[(3-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
CID 80868697

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine (CID 83240227) is 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine is COc1ccc(Cc2nc(N)nc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is UCJNWVVSHYSWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-17-8-4-2-7(3-5-8)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 250.69 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).