3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol

C10H17ClN4OS — CID 107772731

IUPAC3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
SMILESCCCNc1nc(Cl)nc(SC(C)C(C)O)n1
InChIInChI=1S/C10H17ClN4OS/c1-4-5-12-9-13-8(11)14-10(15-9)17-7(3)6(2)16/h6-7,16H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyRJHXTZIPPDDJID-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.21
Rot. Bonds6

About 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol

3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol (PubChem CID 107772731) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
PubChem CID107772731
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
SMILESCCCNc1nc(Cl)nc(SC(C)C(C)O)n1
InChIInChI=1S/C10H17ClN4OS/c1-4-5-12-9-13-8(11)14-10(15-9)17-7(3)6(2)16/h6-7,16H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyRJHXTZIPPDDJID-UHFFFAOYSA-N
XLogP2.21
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol with MolForge

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Related Compounds

4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80886573
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
methyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80885429
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol
CID 107770967
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol
CID 106288996
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159512
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
The IUPAC name of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol (CID 107772731) is 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
The canonical SMILES for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol is CCCNc1nc(Cl)nc(SC(C)C(C)O)n1.
What is the InChIKey of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
The InChIKey is RJHXTZIPPDDJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-4-5-12-9-13-8(11)14-10(15-9)17-7(3)6(2)16/h6-7,16H,4-5H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol has a molecular weight of 276.79 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol is sourced from PubChem (CID 107772731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).