N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C18H27N5O4 — CID 24687502

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(CC)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O4/c1-5-8-10-22(17(25)13-11(4)27-21-12(13)7-3)14-15(19)23(9-6-2)18(26)20-16(14)24/h5-10,19H2,1-4H3,(H,20,24,26)
InChIKeyKJTMBKNJCKNXFN-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.83
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24687502) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24687502
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(CC)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O4/c1-5-8-10-22(17(25)13-11(4)27-21-12(13)7-3)14-15(19)23(9-6-2)18(26)20-16(14)24/h5-10,19H2,1-4H3,(H,20,24,26)
InChIKeyKJTMBKNJCKNXFN-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 24687502) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCCCN(C(=O)c1c(CC)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-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KJTMBKNJCKNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-5-8-10-22(17(25)13-11(4)27-21-12(13)7-3)14-15(19)23(9-6-2)18(26)20-16(14)24/h5-10,19H2,1-4H3,(H,20,24,26).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24687502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).