4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one

C11H16N4O3S — CID 135874968

IUPAC4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
SMILESC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C11H16N4O3S/c1-7(10(17)15-2-4-18-5-3-15)19-11-13-8(12)6-9(16)14-11/h6-7H,2-5H2,1H3,(H3,12,13,14,16)/t7-/m0/s1
InChIKeyJJTXDQGQOVIFQY-ZETCQYMHSA-N
MW284.34 g/mol
LogP-0.31
Rot. Bonds3

About 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one

4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 135874968) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID135874968
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
SMILESC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N1CCOCC1
InChIInChI=1S/C11H16N4O3S/c1-7(10(17)15-2-4-18-5-3-15)19-11-13-8(12)6-9(16)14-11/h6-7H,2-5H2,1H3,(H3,12,13,14,16)/t7-/m0/s1
InChIKeyJJTXDQGQOVIFQY-ZETCQYMHSA-N
XLogP-0.31
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
CID 860112
6-ethyl-2-((2-morpholino-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 135561504
2-(4,6-Dihydroxy-pyrimidin-2-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 704327
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 135877406
1-Ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
CID 135501397
6-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135442032
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135439027
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490333
2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561738
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561739
2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561740
2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-amino-1H-pyrimidin-6-one
CID 135530924

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one (CID 135874968) is 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one is C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N1CCOCC1.
What is the InChIKey of 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JJTXDQGQOVIFQY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7(10(17)15-2-4-18-5-3-15)19-11-13-8(12)6-9(16)14-11/h6-7H,2-5H2,1H3,(H3,12,13,14,16)/t7-/m0/s1.
What are the key properties of 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one?
4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 284.34 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135874968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).