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

C16H23N5O4 — CID 9465685

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H23N5O4/c1-5-7-8-21-13(17)12(14(22)18-16(21)24)20(6-2)15(23)11-9(3)19-25-10(11)4/h5-8,17H2,1-4H3,(H,18,22,24)
InChIKeyGUKLRDCLJHZIMR-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.19
Rot. Bonds6

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 9465685) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID9465685
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H23N5O4/c1-5-7-8-21-13(17)12(14(22)18-16(21)24)20(6-2)15(23)11-9(3)19-25-10(11)4/h5-8,17H2,1-4H3,(H,18,22,24)
InChIKeyGUKLRDCLJHZIMR-UHFFFAOYSA-N
XLogP1.19
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.19
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-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 9465685) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-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-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCCCn1c(N)c(N(CC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GUKLRDCLJHZIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-5-7-8-21-13(17)12(14(22)18-16(21)24)20(6-2)15(23)11-9(3)19-25-10(11)4/h5-8,17H2,1-4H3,(H,18,22,24).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.19, 6 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-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9465685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).