N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide

C27H36N4O5 — CID 55997692

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(COc3ccc(C)cc3C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C27H36N4O5/c1-6-7-13-31-24(28)23(25(32)29-27(31)34)30(14-12-17(2)3)26(33)22-11-9-20(36-22)16-35-21-10-8-18(4)15-19(21)5/h8-11,15,17H,6-7,12-14,16,28H2,1-5H3,(H,29,32,34)
InChIKeyYWFZLSGTQPXZDS-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.40
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide (PubChem CID 55997692) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide
PubChem CID55997692
Molecular FormulaC27H36N4O5
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(COc3ccc(C)cc3C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C27H36N4O5/c1-6-7-13-31-24(28)23(25(32)29-27(31)34)30(14-12-17(2)3)26(33)22-11-9-20(36-22)16-35-21-10-8-18(4)15-19(21)5/h8-11,15,17H,6-7,12-14,16,28H2,1-5H3,(H,29,32,34)
InChIKeyYWFZLSGTQPXZDS-UHFFFAOYSA-N
XLogP4.40
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
CID 55338202
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-(phenoxymethyl)furan-2-carboxamide
CID 25163160
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylphenoxy)-N-(3-methylbutyl)propanamide
CID 35553555
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,4-dichloro-N-(3-methylbutyl)benzamide
CID 26185365
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55344943
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-nitrophenyl)furan-2-carboxamide
CID 16959407

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide (CID 55997692) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(COc3ccc(C)cc3C)o2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide?
The InChIKey is YWFZLSGTQPXZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-6-7-13-31-24(28)23(25(32)29-27(31)34)30(14-12-17(2)3)26(33)22-11-9-20(36-22)16-35-21-10-8-18(4)15-19(21)5/h8-11,15,17H,6-7,12-14,16,28H2,1-5H3,(H,29,32,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.40, 11 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)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 55997692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).