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

C20H31N5O4S — CID 24979429

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCCCN(C(=O)CSCc1c(C)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C20H31N5O4S/c1-5-7-9-24(16(26)12-30-11-15-13(3)23-29-14(15)4)17-18(21)25(10-8-6-2)20(28)22-19(17)27/h5-12,21H2,1-4H3,(H,22,27,28)
InChIKeyFUMFXQPRQZGIIO-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.59
Rot. Bonds11

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 24979429) has the molecular formula C20H31N5O4S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID24979429
Molecular FormulaC20H31N5O4S
Molecular Weight437.57 g/mol
Exact Mass437.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCCCN(C(=O)CSCc1c(C)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C20H31N5O4S/c1-5-7-9-24(16(26)12-30-11-15-13(3)23-29-14(15)4)17-18(21)25(10-8-6-2)20(28)22-19(17)27/h5-12,21H2,1-4H3,(H,22,27,28)
InChIKeyFUMFXQPRQZGIIO-UHFFFAOYSA-N
XLogP2.59
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 24979429) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-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(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is FUMFXQPRQZGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4S/c1-5-7-9-24(16(26)12-30-11-15-13(3)23-29-14(15)4)17-18(21)25(10-8-6-2)20(28)22-19(17)27/h5-12,21H2,1-4H3,(H,22,27,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 24979429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).