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

C20H31N5O4 — CID 18190985

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H31N5O4/c1-6-8-10-25-17(21)16(18(26)22-20(25)28)24(11-9-12(3)4)19(27)15-13(5)29-23-14(15)7-2/h12H,6-11,21H2,1-5H3,(H,22,26,28)
InChIKeyYNBWEEJGBPVRQG-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.47
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide (PubChem CID 18190985) has the molecular formula C20H31N5O4 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
PubChem CID18190985
Molecular FormulaC20H31N5O4
Molecular Weight405.50 g/mol
Exact Mass405.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H31N5O4/c1-6-8-10-25-17(21)16(18(26)22-20(25)28)24(11-9-12(3)4)19(27)15-13(5)29-23-14(15)7-2/h12H,6-11,21H2,1-5H3,(H,22,26,28)
InChIKeyYNBWEEJGBPVRQG-UHFFFAOYSA-N
XLogP2.47
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.47
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)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide (CID 18190985) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YNBWEEJGBPVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4/c1-6-8-10-25-17(21)16(18(26)22-20(25)28)24(11-9-12(3)4)19(27)15-13(5)29-23-14(15)7-2/h12H,6-11,21H2,1-5H3,(H,22,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.47, 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)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18190985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).