3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide

C11H16N4O2S — CID 70624532

IUPAC3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide
SMILESNC(=O)C(CN1CCOCC1)Sc1ncccn1
InChIInChI=1S/C11H16N4O2S/c12-10(16)9(8-15-4-6-17-7-5-15)18-11-13-2-1-3-14-11/h1-3,9H,4-8H2,(H2,12,16)
InChIKeyALTHPWRGKWQACR-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.25
Rot. Bonds5

About 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide

3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 70624532) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID70624532
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide
SMILESNC(=O)C(CN1CCOCC1)Sc1ncccn1
InChIInChI=1S/C11H16N4O2S/c12-10(16)9(8-15-4-6-17-7-5-15)18-11-13-2-1-3-14-11/h1-3,9H,4-8H2,(H2,12,16)
InChIKeyALTHPWRGKWQACR-UHFFFAOYSA-N
XLogP-0.25
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
CID 22767808
2-amino-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151539
2-(morpholin-4-ylmethyl)-2-pyridin-2-ylbutanamide
CID 129053349
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
morpholin-4-ylmethyl pyridine-2-carboxylate
CID 67423863
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94102902
2-morpholin-4-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 91833632
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
2-[[5-amino-4-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573716

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide (CID 70624532) is 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide is NC(=O)C(CN1CCOCC1)Sc1ncccn1.
What is the InChIKey of 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is ALTHPWRGKWQACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-10(16)9(8-15-4-6-17-7-5-15)18-11-13-2-1-3-14-11/h1-3,9H,4-8H2,(H2,12,16).
What are the key properties of 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide?
3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 268.34 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 70624532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).