N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C26H28N4O6 — CID 55344943

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C26H28N4O6/c1-3-12-30-23(27)22(24(31)28-26(30)33)29(13-14-34-2)25(32)21-11-10-20(36-21)16-35-19-9-8-17-6-4-5-7-18(17)15-19/h4-11,15H,3,12-14,16,27H2,1-2H3,(H,28,31,33)
InChIKeyCFMFMMABGVLPDY-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.15
Rot. Bonds10

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 55344943) has the molecular formula C26H28N4O6 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID55344943
Molecular FormulaC26H28N4O6
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C26H28N4O6/c1-3-12-30-23(27)22(24(31)28-26(30)33)29(13-14-34-2)25(32)21-11-10-20(36-21)16-35-19-9-8-17-6-4-5-7-18(17)15-19/h4-11,15H,3,12-14,16,27H2,1-2H3,(H,28,31,33)
InChIKeyCFMFMMABGVLPDY-UHFFFAOYSA-N
XLogP3.15
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
CID 16614219
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55582201
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-(phenoxymethyl)furan-2-carboxamide
CID 25163160
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39724067
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 43032737
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 26120873
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 6215046
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide
CID 55997692

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 55344943) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is CCCn1c(N)c(N(CCOC)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is CFMFMMABGVLPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O6/c1-3-12-30-23(27)22(24(31)28-26(30)33)29(13-14-34-2)25(32)21-11-10-20(36-21)16-35-19-9-8-17-6-4-5-7-18(17)15-19/h4-11,15H,3,12-14,16,27H2,1-2H3,(H,28,31,33).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 55344943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).