2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

C19H24N6O2S — CID 1258688

IUPAC2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCCC1
InChIInChI=1S/C19H24N6O2S/c26-16(24-8-4-5-9-24)14-28-19-22-17(20-15-6-2-1-3-7-15)21-18(23-19)25-10-12-27-13-11-25/h1-3,6-7H,4-5,8-14H2,(H,20,21,22,23)
InChIKeyYZOHELXQXAYDMU-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.17
Rot. Bonds6

About 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 1258688) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID1258688
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCCC1
InChIInChI=1S/C19H24N6O2S/c26-16(24-8-4-5-9-24)14-28-19-22-17(20-15-6-2-1-3-7-15)21-18(23-19)25-10-12-27-13-11-25/h1-3,6-7H,4-5,8-14H2,(H,20,21,22,23)
InChIKeyYZOHELXQXAYDMU-UHFFFAOYSA-N
XLogP2.17
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2242295
2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
CID 3155205
2-[6-(dimethylamino)-4-(ethylamino)(1,3,5-triazin-2-ylthio)]-N-phenylpropanami de
CID 3155206
2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
CID 2982947
1-Morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 851331
2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylacetamide
CID 1002154
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 1090938
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 1091695
2-{[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 1252702
1-[2-[[4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 2190720
N-(2-{[4-(methylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}ethyl)-N'-phenylurea
CID 2210653
2-{[4,6-Bis(diethylamino)-1,3,5-triazin-2-YL]sulfanyl}ethyl N-phenylcarbamate
CID 2885878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 1258688) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCCC1.
What is the InChIKey of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YZOHELXQXAYDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c26-16(24-8-4-5-9-24)14-28-19-22-17(20-15-6-2-1-3-7-15)21-18(23-19)25-10-12-27-13-11-25/h1-3,6-7H,4-5,8-14H2,(H,20,21,22,23).
What are the key properties of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 400.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1258688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).