4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

C11H13ClN6S — CID 80891820

IUPAC4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Sc2nccc(C)n2)n1
InChIInChI=1S/C11H13ClN6S/c1-3-5-13-9-16-8(12)17-11(18-9)19-10-14-6-4-7(2)15-10/h4,6H,3,5H2,1-2H3,(H,13,16,17,18)
InChIKeyNCIOVIIZXJHNML-UHFFFAOYSA-N
MW296.79 g/mol
LogP2.60
Rot. Bonds5

About 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80891820) has the molecular formula C11H13ClN6S and a molecular weight of 296.79 g/mol. Its IUPAC name is 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80891820
Molecular FormulaC11H13ClN6S
Molecular Weight296.79 g/mol
Exact Mass296.06
IUPAC Name4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Sc2nccc(C)n2)n1
InChIInChI=1S/C11H13ClN6S/c1-3-5-13-9-16-8(12)17-11(18-9)19-10-14-6-4-7(2)15-10/h4,6H,3,5H2,1-2H3,(H,13,16,17,18)
InChIKeyNCIOVIIZXJHNML-UHFFFAOYSA-N
XLogP2.60
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80886573
4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 106928226
N-[[2-chloro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63808070
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772731
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104
3-(4-methylpyrimidin-2-yl)sulfanyl-5-nitro-N-propylaniline
CID 80883824
6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80843860
methyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80885429
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79774624

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 80891820) is 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(Sc2nccc(C)n2)n1.
What is the InChIKey of 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is NCIOVIIZXJHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6S/c1-3-5-13-9-16-8(12)17-11(18-9)19-10-14-6-4-7(2)15-10/h4,6H,3,5H2,1-2H3,(H,13,16,17,18).
What are the key properties of 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 296.79 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80891820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).