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

C4H5ClN4 — CID 30591

IUPAC4-chloro-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Cl)n1
InChIInChI=1S/C4H5ClN4/c1-2-7-3(5)9-4(6)8-2/h1H3,(H2,6,7,8,9)
InChIKeyBTBXQZKDOSYRDX-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.42
Rot. Bonds

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

4-chloro-6-methyl-1,3,5-triazin-2-amine (PubChem CID 30591) has the molecular formula C4H5ClN4 and a molecular weight of 144.56 g/mol. Its IUPAC name is 4-chloro-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-1,3,5-triazin-2-amine
PubChem CID30591
Molecular FormulaC4H5ClN4
Molecular Weight144.56 g/mol
Exact Mass144.02
IUPAC Name4-chloro-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Cl)n1
InChIInChI=1S/C4H5ClN4/c1-2-7-3(5)9-4(6)8-2/h1H3,(H2,6,7,8,9)
InChIKeyBTBXQZKDOSYRDX-UHFFFAOYSA-N
XLogP0.42
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methyl-1,3,5-triazin-2-amine (CID 30591) is 4-chloro-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is BTBXQZKDOSYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4/c1-2-7-3(5)9-4(6)8-2/h1H3,(H2,6,7,8,9).
What are the key properties of 4-chloro-6-methyl-1,3,5-triazin-2-amine?
4-chloro-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 144.56 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 30591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).