N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

C19H29N5O4S — CID 24687394

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCCCN(C(=O)CSCc1c(C)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4S/c1-5-7-9-23(15(25)11-29-10-14-12(3)22-28-13(14)4)16-17(20)24(8-6-2)19(27)21-18(16)26/h5-11,20H2,1-4H3,(H,21,26,27)
InChIKeyZIRJKNHIXMFNDQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.20
Rot. Bonds10

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 24687394) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID24687394
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCCCN(C(=O)CSCc1c(C)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4S/c1-5-7-9-23(15(25)11-29-10-14-12(3)22-28-13(14)4)16-17(20)24(8-6-2)19(27)21-18(16)26/h5-11,20H2,1-4H3,(H,21,26,27)
InChIKeyZIRJKNHIXMFNDQ-UHFFFAOYSA-N
XLogP2.20
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 24687394) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is CCCCN(C(=O)CSCc1c(C)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is ZIRJKNHIXMFNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-5-7-9-23(15(25)11-29-10-14-12(3)22-28-13(14)4)16-17(20)24(8-6-2)19(27)21-18(16)26/h5-11,20H2,1-4H3,(H,21,26,27).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 24687394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).