3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol

C11H19N5O2S — CID 80895143

IUPAC3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol
SMILESCNc1nc(SCC(O)CO)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S/c1-12-9-13-10(16-4-2-3-5-16)15-11(14-9)19-7-8(18)6-17/h8,17-18H,2-7H2,1H3,(H,12,13,14,15)
InChIKeyVUVKFODQHLWWOQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.04
Rot. Bonds6

About 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol

3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol (PubChem CID 80895143) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol
PubChem CID80895143
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol
SMILESCNc1nc(SCC(O)CO)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S/c1-12-9-13-10(16-4-2-3-5-16)15-11(14-9)19-7-8(18)6-17/h8,17-18H,2-7H2,1H3,(H,12,13,14,15)
InChIKeyVUVKFODQHLWWOQ-UHFFFAOYSA-N
XLogP-0.04
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol with MolForge

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Related Compounds

4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80885060
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 115366480
N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
2-N,4-N-dimethyl-4-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80792687
4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80873438
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80881867
2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917
3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80927322
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol (CID 80895143) is 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol is CNc1nc(SCC(O)CO)nc(N2CCCC2)n1.
What is the InChIKey of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol?
The InChIKey is VUVKFODQHLWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-12-9-13-10(16-4-2-3-5-16)15-11(14-9)19-7-8(18)6-17/h8,17-18H,2-7H2,1H3,(H,12,13,14,15).
What are the key properties of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol?
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol has a molecular weight of 285.37 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol is sourced from PubChem (CID 80895143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).