N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide

C15H12FN5O3S — CID 139016575

IUPACN-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide
SMILESCc1nc2c(=O)[nH]c(SCC(=O)Nc3ccc(F)cc3)nc2[nH]c1=O
InChIInChI=1S/C15H12FN5O3S/c1-7-13(23)19-12-11(17-7)14(24)21-15(20-12)25-6-10(22)18-9-4-2-8(16)3-5-9/h2-5H,6H2,1H3,(H,18,22)(H2,19,20,21,23,24)
InChIKeyYMVUYQTVPCZVDO-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.18
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide (PubChem CID 139016575) has the molecular formula C15H12FN5O3S and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide
PubChem CID139016575
Molecular FormulaC15H12FN5O3S
Molecular Weight361.36 g/mol
Exact Mass361.06
IUPAC NameN-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide
SMILESCc1nc2c(=O)[nH]c(SCC(=O)Nc3ccc(F)cc3)nc2[nH]c1=O
InChIInChI=1S/C15H12FN5O3S/c1-7-13(23)19-12-11(17-7)14(24)21-15(20-12)25-6-10(22)18-9-4-2-8(16)3-5-9/h2-5H,6H2,1H3,(H,18,22)(H2,19,20,21,23,24)
InChIKeyYMVUYQTVPCZVDO-UHFFFAOYSA-N
XLogP1.18
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[[5-(2-hydroxyethenyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 159312440
2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetic acid
CID 139016582
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 135441944
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
N-(4-acetylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135437935
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 4066547
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135427780
N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136616229
N-(4-fluorophenyl)-2-[[6-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135889610
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400
N-(4-chlorophenyl)-2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135429234
N-(4-ethylphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713659

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide (CID 139016575) is N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide is Cc1nc2c(=O)[nH]c(SCC(=O)Nc3ccc(F)cc3)nc2[nH]c1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide?
The InChIKey is YMVUYQTVPCZVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3S/c1-7-13(23)19-12-11(17-7)14(24)21-15(20-12)25-6-10(22)18-9-4-2-8(16)3-5-9/h2-5H,6H2,1H3,(H,18,22)(H2,19,20,21,23,24).
What are the key properties of N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide has a molecular weight of 361.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(6-methyl-4,7-dioxo-3,8-dihydropteridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 139016575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).