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

C19H29N5O4 — CID 24982741

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(CC)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-5-8-10-23(18(26)14-12(4)28-22-13(14)7-3)15-16(20)24(11-9-6-2)19(27)21-17(15)25/h5-11,20H2,1-4H3,(H,21,25,27)
InChIKeyXOFUTLDUQWISKZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.22
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24982741) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24982741
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C(=O)c1c(CC)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-5-8-10-23(18(26)14-12(4)28-22-13(14)7-3)15-16(20)24(11-9-6-2)19(27)21-17(15)25/h5-11,20H2,1-4H3,(H,21,25,27)
InChIKeyXOFUTLDUQWISKZ-UHFFFAOYSA-N
XLogP2.22
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 24982741) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCCCN(C(=O)c1c(CC)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-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XOFUTLDUQWISKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-5-8-10-23(18(26)14-12(4)28-22-13(14)7-3)15-16(20)24(11-9-6-2)19(27)21-17(15)25/h5-11,20H2,1-4H3,(H,21,25,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.22, 9 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-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24982741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).