4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine

C12H13ClN4O — CID 83240232

IUPAC4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1cccc(-c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C12H13ClN4O/c1-7(2)18-9-5-3-4-8(6-9)10-15-11(13)17-12(14)16-10/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyYDAYJHQRIYLPTL-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.56
Rot. Bonds3

About 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine

4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 83240232) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
PubChem CID83240232
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1cccc(-c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C12H13ClN4O/c1-7(2)18-9-5-3-4-8(6-9)10-15-11(13)17-12(14)16-10/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyYDAYJHQRIYLPTL-UHFFFAOYSA-N
XLogP2.56
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66311636
4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 63405768
4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66313598
5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296589
4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 83240805
4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382194
5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66314230
5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296825
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine (CID 83240232) is 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine is CC(C)Oc1cccc(-c2nc(N)nc(Cl)n2)c1.
What is the InChIKey of 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is YDAYJHQRIYLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7(2)18-9-5-3-4-8(6-9)10-15-11(13)17-12(14)16-10/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).