(2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one

C5H9N3OS — CID 124651499

IUPAC(2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one
SMILESCS[C@H]1NC(=O)C=C(N)N1
InChIInChI=1S/C5H9N3OS/c1-10-5-7-3(6)2-4(9)8-5/h2,5,7H,6H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyXXGBLBXTTBHTJE-RXMQYKEDSA-N
MW159.21 g/mol
LogP-0.85
Rot. Bonds1

About (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one

(2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 124651499) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name(2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID124651499
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name(2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one
SMILESCS[C@H]1NC(=O)C=C(N)N1
InChIInChI=1S/C5H9N3OS/c1-10-5-7-3(6)2-4(9)8-5/h2,5,7H,6H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyXXGBLBXTTBHTJE-RXMQYKEDSA-N
XLogP-0.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one
CID 142677150
(2R)-2-hydroxy-3-methyl-1,2-dihydropyrrol-5-one
CID 162893056
(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one
CID 10909584
7-methyl-2-methylsulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 67937865
2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one
CID 141068352
2-methyl-1,2-dihydropyridine-4,6-diamine
CID 86341509
(2S)-2-hydrazinyl-6-methyl-2,3-dihydro-1H-pyrimidin-4-one
CID 816939
2-methylsulfanyl-1,3-thiazolidin-4-one
CID 144806375
(2S)-2-[[(2S)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]amino]propanamide
CID 16749488
4-methyl-6-oxo-2-sulfanyl-2,3-dihydro-1H-pyridine-3-carbonitrile
CID 88963134
(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 138579820
3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one
CID 135265082

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one (CID 124651499) is (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one is CS[C@H]1NC(=O)C=C(N)N1.
What is the InChIKey of (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is XXGBLBXTTBHTJE-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-10-5-7-3(6)2-4(9)8-5/h2,5,7H,6H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one?
(2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 159.21 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 124651499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).