2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C18H19N5O3S — CID 2915989

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H19N5O3S/c1-3-13(17(25)20-15-9-11(2)26-22-15)27-18-21-16(24)10-14(19)23(18)12-7-5-4-6-8-12/h4-10,13H,3,19H2,1-2H3,(H,20,22,25)
InChIKeyNXMZHCYVZKVFML-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.62
Rot. Bonds6

About 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 2915989) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID2915989
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H19N5O3S/c1-3-13(17(25)20-15-9-11(2)26-22-15)27-18-21-16(24)10-14(19)23(18)12-7-5-4-6-8-12/h4-10,13H,3,19H2,1-2H3,(H,20,22,25)
InChIKeyNXMZHCYVZKVFML-UHFFFAOYSA-N
XLogP2.62
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 3985436
ethyl 2-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2914724
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
CID 51263679
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 55448776
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 51074093
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)butanamide
CID 25332157
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)butanamide
CID 25332156
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 784165
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 17410604
(2R)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25332329
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 2915989) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is NXMZHCYVZKVFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-3-13(17(25)20-15-9-11(2)26-22-15)27-18-21-16(24)10-14(19)23(18)12-7-5-4-6-8-12/h4-10,13H,3,19H2,1-2H3,(H,20,22,25).
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 385.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 2915989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).