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

C13H14Cl2N4O — CID 62863657

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-8(2)20-13-18-11(15)17-12(19-13)16-7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyNVBCSLQUSCXRLZ-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.58
Rot. Bonds5

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

4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62863657) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62863657
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-8(2)20-13-18-11(15)17-12(19-13)16-7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyNVBCSLQUSCXRLZ-UHFFFAOYSA-N
XLogP3.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863715
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62862594
4-(3-chlorophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883029
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106405346
4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864367
4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63550284
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 114101580
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62863657) is 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(NCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is NVBCSLQUSCXRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-8(2)20-13-18-11(15)17-12(19-13)16-7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 313.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).