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

C19H29N5O4 — CID 25163169

IUPACN-[6-amino-1-(2-methylpropyl)-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(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-6-8-9-23(18(26)14-12(5)28-22-13(14)7-2)15-16(20)24(10-11(3)4)19(27)21-17(15)25/h11H,6-10,20H2,1-5H3,(H,21,25,27)
InChIKeyGGDKFIHJWNRSLM-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.08
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25163169) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID25163169
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-[6-amino-1-(2-methylpropyl)-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(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-6-8-9-23(18(26)14-12(5)28-22-13(14)7-2)15-16(20)24(10-11(3)4)19(27)21-17(15)25/h11H,6-10,20H2,1-5H3,(H,21,25,27)
InChIKeyGGDKFIHJWNRSLM-UHFFFAOYSA-N
XLogP2.08
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.08
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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 25163169) is N-[6-amino-1-(2-methylpropyl)-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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-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(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GGDKFIHJWNRSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-6-8-9-23(18(26)14-12(5)28-22-13(14)7-2)15-16(20)24(10-11(3)4)19(27)21-17(15)25/h11H,6-10,20H2,1-5H3,(H,21,25,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-1-(2-methylpropyl)-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 2.08, 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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25163169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).