2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide

C20H17N5O2S — CID 2171462

IUPAC2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide
SMILESCc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C20H17N5O2S/c1-13-5-4-7-15(9-13)25-17(22)10-18(26)24-20(25)28-12-19(27)23-16-8-3-2-6-14(16)11-21/h2-10H,12,22H2,1H3,(H,23,27)
InChIKeyZORPLZBUQTZJEG-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.73
Rot. Bonds5

About 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide

2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide (PubChem CID 2171462) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide
PubChem CID2171462
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide
SMILESCc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C20H17N5O2S/c1-13-5-4-7-15(9-13)25-17(22)10-18(26)24-20(25)28-12-19(27)23-16-8-3-2-6-14(16)11-21/h2-10H,12,22H2,1H3,(H,23,27)
InChIKeyZORPLZBUQTZJEG-UHFFFAOYSA-N
XLogP2.73
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4139269
methyl 2-[[2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]-2-phenylacetate
CID 5300425
2-[6-amino-1-(3-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16797976
N-(2-cyanophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2394618
N-(2-cyanophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
CID 7524703
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 4058400
N-(2-cyanophenyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 2990604
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
[2-(2-cyanoanilino)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7684327
N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 17437395

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide (CID 2171462) is 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide is Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide?
The InChIKey is ZORPLZBUQTZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-13-5-4-7-15(9-13)25-17(22)10-18(26)24-20(25)28-12-19(27)23-16-8-3-2-6-14(16)11-21/h2-10H,12,22H2,1H3,(H,23,27).
What are the key properties of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide?
2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide has a molecular weight of 391.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 2171462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).