4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine

C12H15ClN6S — CID 80735936

IUPAC4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCC1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCCS1
InChIInChI=1S/C12H15ClN6S/c1-12(3-2-6-20-12)7-15-10-16-9(13)17-11(18-10)19-5-4-14-8-19/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,17,18)
InChIKeyMZSRNCBLZKYBNP-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 80735936) has the molecular formula C12H15ClN6S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID80735936
Molecular FormulaC12H15ClN6S
Molecular Weight310.81 g/mol
Exact Mass310.08
IUPAC Name4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCC1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCCS1
InChIInChI=1S/C12H15ClN6S/c1-12(3-2-6-20-12)7-15-10-16-9(13)17-11(18-10)19-5-4-14-8-19/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,17,18)
InChIKeyMZSRNCBLZKYBNP-UHFFFAOYSA-N
XLogP2.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine (CID 80735936) is 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine is CC1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCCS1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is MZSRNCBLZKYBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6S/c1-12(3-2-6-20-12)7-15-10-16-9(13)17-11(18-10)19-5-4-14-8-19/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 310.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80735936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).