N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H27N5O4 — CID 24687252

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(C)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O4/c1-5-7-9-22(17(25)13-11(3)21-27-12(13)4)14-15(19)23(10-8-6-2)18(26)20-16(14)24/h5-10,19H2,1-4H3,(H,20,24,26)
InChIKeyHZIRWKIQKIFSLN-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.97
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 24687252) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID24687252
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(C)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O4/c1-5-7-9-22(17(25)13-11(3)21-27-12(13)4)14-15(19)23(10-8-6-2)18(26)20-16(14)24/h5-10,19H2,1-4H3,(H,20,24,26)
InChIKeyHZIRWKIQKIFSLN-UHFFFAOYSA-N
XLogP1.97
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9506625
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233221
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 24817859
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 24980490
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 25162068
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9465685
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 24816709
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 24686840
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
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 25161893

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 24687252) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCCCN(C(=O)c1c(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-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HZIRWKIQKIFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-5-7-9-22(17(25)13-11(3)21-27-12(13)4)14-15(19)23(10-8-6-2)18(26)20-16(14)24/h5-10,19H2,1-4H3,(H,20,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24687252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).