4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one

C13H17N5O2S2 — CID 136817047

IUPAC4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H](C)Sc2nnc(N3CCOCC3)s2)n1
InChIInChI=1S/C13H17N5O2S2/c1-8-7-10(19)15-11(14-8)9(2)21-13-17-16-12(22-13)18-3-5-20-6-4-18/h7,9H,3-6H2,1-2H3,(H,14,15,19)/t9-/m1/s1
InChIKeyPAZXARUDASNRAW-SECBINFHSA-N
MW339.45 g/mol
LogP1.62
Rot. Bonds4

About 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one

4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136817047) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one
PubChem CID136817047
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC Name4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H](C)Sc2nnc(N3CCOCC3)s2)n1
InChIInChI=1S/C13H17N5O2S2/c1-8-7-10(19)15-11(14-8)9(2)21-13-17-16-12(22-13)18-3-5-20-6-4-18/h7,9H,3-6H2,1-2H3,(H,14,15,19)/t9-/m1/s1
InChIKeyPAZXARUDASNRAW-SECBINFHSA-N
XLogP1.62
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one (CID 136817047) is 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@@H](C)Sc2nnc(N3CCOCC3)s2)n1.
What is the InChIKey of 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is PAZXARUDASNRAW-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-8-7-10(19)15-11(14-8)9(2)21-13-17-16-12(22-13)18-3-5-20-6-4-18/h7,9H,3-6H2,1-2H3,(H,14,15,19)/t9-/m1/s1.
What are the key properties of 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 339.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136817047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).