N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide

C14H18N4O4 — CID 22110757

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O4/c1-3-4-7-18-11(15)10(12(19)16-14(18)21)17(2)13(20)9-6-5-8-22-9/h5-6,8H,3-4,7,15H2,1-2H3,(H,16,19,21)
InChIKeyUDYXKRFUYKRODB-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.79
Rot. Bonds5

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide (PubChem CID 22110757) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide
PubChem CID22110757
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O4/c1-3-4-7-18-11(15)10(12(19)16-14(18)21)17(2)13(20)9-6-5-8-22-9/h5-6,8H,3-4,7,15H2,1-2H3,(H,16,19,21)
InChIKeyUDYXKRFUYKRODB-UHFFFAOYSA-N
XLogP0.79
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
N-(2-Furoyl)glycine methyl ester
CID 518748
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 4591666
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
1-(Furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 2269367
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
1-(2-Furoyl)piperazine Hydrochloride
CID 12289910
ST50925815
CID 1203008

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide (CID 22110757) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide is CCCCn1c(N)c(N(C)C(=O)c2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide?
The InChIKey is UDYXKRFUYKRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-4-7-18-11(15)10(12(19)16-14(18)21)17(2)13(20)9-6-5-8-22-9/h5-6,8H,3-4,7,15H2,1-2H3,(H,16,19,21).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 22110757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).