2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

C22H24N4O2S — CID 3511427

IUPAC2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc(=O)cc(N)n1CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2S/c1-16(18-10-6-3-7-11-18)24-21(28)15-29-22-25-20(27)14-19(23)26(22)13-12-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15,23H2,1H3,(H,24,28)
InChIKeyUNVGKKCQWNQWJO-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.04
Rot. Bonds8

About 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 3511427) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID3511427
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc(=O)cc(N)n1CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2S/c1-16(18-10-6-3-7-11-18)24-21(28)15-29-22-25-20(27)14-19(23)26(22)13-12-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15,23H2,1H3,(H,24,28)
InChIKeyUNVGKKCQWNQWJO-UHFFFAOYSA-N
XLogP3.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135405931
2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135525771
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 2340303
2-[(5-Acetamido-4,6-dioxo-1,5-dihydropyrimidin-2-YL)sulfanyl]-N-(1-phenylethyl)acetamide
CID 646513
N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2467500
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 2999100
N-benzyl-2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3311767
2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorobenzyl)acetamide
CID 4061072

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (CID 3511427) is 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1nc(=O)cc(N)n1CCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is UNVGKKCQWNQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16(18-10-6-3-7-11-18)24-21(28)15-29-22-25-20(27)14-19(23)26(22)13-12-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15,23H2,1H3,(H,24,28).
What are the key properties of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 408.53 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3511427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).