2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide

C19H18N4O2S — CID 135509368

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c20-15-11-16(24)23-19(21-15)26-12-17(25)22-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H,22,25)(H3,20,21,23,24)
InChIKeyUCFFKULZZUNUST-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.35
Rot. Bonds6

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide (PubChem CID 135509368) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide
PubChem CID135509368
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c20-15-11-16(24)23-19(21-15)26-12-17(25)22-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H,22,25)(H3,20,21,23,24)
InChIKeyUCFFKULZZUNUST-UHFFFAOYSA-N
XLogP2.35
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
5-(2-Oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470371
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
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-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]thio}-N-benzylpropanamide
CID 4917997
3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5204342
N-[2-benzylsulfanyl-5-(dibenzylamino)-1-ethyl-6-oxopyrimidin-4-yl]acetamide
CID 53388793
N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135415543

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide (CID 135509368) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide is Nc1cc(=O)[nH]c(SCC(=O)NC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide?
The InChIKey is UCFFKULZZUNUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c20-15-11-16(24)23-19(21-15)26-12-17(25)22-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H,22,25)(H3,20,21,23,24).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide has a molecular weight of 366.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzhydrylacetamide is sourced from PubChem (CID 135509368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).