6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine

C14H18ClN5O — CID 27373940

IUPAC6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)COc1ccc(Cc2nc(N)nc(N)n2)cc1Cl
InChIInChI=1S/C14H18ClN5O/c1-8(2)7-21-11-4-3-9(5-10(11)15)6-12-18-13(16)20-14(17)19-12/h3-5,8H,6-7H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyONJCTNOLOBFAAE-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.32
Rot. Bonds5

About 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine

6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 27373940) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID27373940
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)COc1ccc(Cc2nc(N)nc(N)n2)cc1Cl
InChIInChI=1S/C14H18ClN5O/c1-8(2)7-21-11-4-3-9(5-10(11)15)6-12-18-13(16)20-14(17)19-12/h3-5,8H,6-7H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyONJCTNOLOBFAAE-UHFFFAOYSA-N
XLogP2.32
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine (CID 27373940) is 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine is CC(C)COc1ccc(Cc2nc(N)nc(N)n2)cc1Cl.
What is the InChIKey of 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ONJCTNOLOBFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-8(2)7-21-11-4-3-9(5-10(11)15)6-12-18-13(16)20-14(17)19-12/h3-5,8H,6-7H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 27373940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).