2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

C18H17N5O2S — CID 135795999

IUPAC2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C18H17N5O2S/c19-15-16(20)22-18(23-17(15)25)26-10-14(24)21-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10,19H2,(H,21,24)(H3,20,22,23,25)
InChIKeyJCUCXLGSWVPMNA-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.33
Rot. Bonds5

About 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 135795999) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID135795999
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C18H17N5O2S/c19-15-16(20)22-18(23-17(15)25)26-10-14(24)21-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10,19H2,(H,21,24)(H3,20,22,23,25)
InChIKeyJCUCXLGSWVPMNA-UHFFFAOYSA-N
XLogP2.33
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-1-yl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40861429
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
N-(2-ethylphenyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40861484
N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 4785047
N-(2-chloro-3-pyridinyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2100463
N-[4-amino-2-(2-anilino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714738
N-(2-acetylphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 136687745
N-(2-chlorophenyl)-2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552446
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 135514872
2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 135431418
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide
CID 8001742
N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide
CID 135705812

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (CID 135795999) is 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is Nc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)[nH]c(=O)c1N.
What is the InChIKey of 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is JCUCXLGSWVPMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c19-15-16(20)22-18(23-17(15)25)26-10-14(24)21-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10,19H2,(H,21,24)(H3,20,22,23,25).
What are the key properties of 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 135795999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).