4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one

C13H23N3OS — CID 136748601

IUPAC4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
SMILESCCSC[C@@H](C)N(C)Cc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3OS/c1-5-11-7-13(17)15-12(14-11)8-16(4)10(3)9-18-6-2/h7,10H,5-6,8-9H2,1-4H3,(H,14,15,17)/t10-/m1/s1
InChIKeyUEMPVIHHHIVXPW-SNVBAGLBSA-N
MW269.41 g/mol
LogP1.91
Rot. Bonds7

About 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one (PubChem CID 136748601) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
PubChem CID136748601
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
SMILESCCSC[C@@H](C)N(C)Cc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3OS/c1-5-11-7-13(17)15-12(14-11)8-16(4)10(3)9-18-6-2/h7,10H,5-6,8-9H2,1-4H3,(H,14,15,17)/t10-/m1/s1
InChIKeyUEMPVIHHHIVXPW-SNVBAGLBSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 136748600
4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one
CID 136802055
2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one
CID 137272501
4-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidin-6-one
CID 136794907
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973719
4-(ethylsulfanylmethyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one
CID 136686635
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one
CID 137222262
2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136902514
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one (CID 136748601) is 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one is CCSC[C@@H](C)N(C)Cc1nc(CC)cc(=O)[nH]1.
What is the InChIKey of 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The InChIKey is UEMPVIHHHIVXPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-11-7-13(17)15-12(14-11)8-16(4)10(3)9-18-6-2/h7,10H,5-6,8-9H2,1-4H3,(H,14,15,17)/t10-/m1/s1.
What are the key properties of 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one has a molecular weight of 269.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136748601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).