N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide

C21H24N4O5 — CID 8917753

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H24N4O5/c1-3-4-11-24-18(22)17(19(26)23-21(24)28)25(13-16-6-5-12-30-16)20(27)14-7-9-15(29-2)10-8-14/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,26,28)
InChIKeyOTABIUOOFUZEJG-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.37
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide (PubChem CID 8917753) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
PubChem CID8917753
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H24N4O5/c1-3-4-11-24-18(22)17(19(26)23-21(24)28)25(13-16-6-5-12-30-16)20(27)14-7-9-15(29-2)10-8-14/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,26,28)
InChIKeyOTABIUOOFUZEJG-UHFFFAOYSA-N
XLogP2.37
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenoxybenzamide
CID 26195852
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 26195848
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2,5-dimethoxybenzamide
CID 30846713
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 30996929
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 26195962
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 26195804
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
CID 30842008
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26195712
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 26195903
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide
CID 26195713

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide (CID 8917753) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The InChIKey is OTABIUOOFUZEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-3-4-11-24-18(22)17(19(26)23-21(24)28)25(13-16-6-5-12-30-16)20(27)14-7-9-15(29-2)10-8-14/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide has a molecular weight of 412.45 g/mol, XLogP of 2.37, 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-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 8917753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).