4-chloro-6-methoxy-1,3,5-triazin-2-amine

C4H5ClN4O — CID 23689

IUPAC4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C4H5ClN4O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H2,6,7,8,9)
InChIKeyFTCKIHUQOCAWCJ-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.12
Rot. Bonds1

About 4-chloro-6-methoxy-1,3,5-triazin-2-amine

4-chloro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 23689) has the molecular formula C4H5ClN4O and a molecular weight of 160.56 g/mol. Its IUPAC name is 4-chloro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID23689
Molecular FormulaC4H5ClN4O
Molecular Weight160.56 g/mol
Exact Mass160.02
IUPAC Name4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C4H5ClN4O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H2,6,7,8,9)
InChIKeyFTCKIHUQOCAWCJ-UHFFFAOYSA-N
XLogP0.12
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-4,6-dimethoxy-1,3,5-triazine
CID 18450
2,4-Dichloro-6-methoxy-3,5-triazine
CID 19267
6-Methoxyguanamine
CID 17803
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
Formaldehyde;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 173855
4-Fluoro-6-methoxy-1,3,5-triazin-2-amine
CID 55281091
4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 26319
N2-Methoxy-1,3,5-triazine-2,4,6-triamine
CID 11400900
s-Triazine, 2-amino-4-chloro-6-ethoxy-
CID 167705
4-[Chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
CID 15010394
4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 14765433
6-methoxy-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-1,3,5-triazin-2-amine (CID 23689) is 4-chloro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FTCKIHUQOCAWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H2,6,7,8,9).
What are the key properties of 4-chloro-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 160.56 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 23689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).