N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide

C22H24N4O3S — CID 27874591

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N4O3S/c1-2-13-25(18(27)15-30-17-11-7-4-8-12-17)19-20(23)26(22(29)24-21(19)28)14-16-9-5-3-6-10-16/h3-12H,2,13-15,23H2,1H3,(H,24,28,29)
InChIKeyIDIMZAQXYSTSJJ-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.70
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide (PubChem CID 27874591) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide
PubChem CID27874591
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N4O3S/c1-2-13-25(18(27)15-30-17-11-7-4-8-12-17)19-20(23)26(22(29)24-21(19)28)14-16-9-5-3-6-10-16/h3-12H,2,13-15,23H2,1H3,(H,24,28,29)
InChIKeyIDIMZAQXYSTSJJ-UHFFFAOYSA-N
XLogP2.70
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide (CID 27874591) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide is CCCN(C(=O)CSc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide?
The InChIKey is IDIMZAQXYSTSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-2-13-25(18(27)15-30-17-11-7-4-8-12-17)19-20(23)26(22(29)24-21(19)28)14-16-9-5-3-6-10-16/h3-12H,2,13-15,23H2,1H3,(H,24,28,29).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide has a molecular weight of 424.53 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-phenylsulfanyl-N-propylacetamide is sourced from PubChem (CID 27874591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).