N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide

C19H24N4O5 — CID 55337617

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide
SMILESCOCCN(C(=O)C1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O5/c1-27-11-9-22(18(25)14-8-5-10-28-14)15-16(20)23(19(26)21-17(15)24)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,20H2,1H3,(H,21,24,26)
InChIKeyVLWQHQFCQLZJPH-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.33
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide (PubChem CID 55337617) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide
PubChem CID55337617
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide
SMILESCOCCN(C(=O)C1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O5/c1-27-11-9-22(18(25)14-8-5-10-28-14)15-16(20)23(19(26)21-17(15)24)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,20H2,1H3,(H,21,24,26)
InChIKeyVLWQHQFCQLZJPH-UHFFFAOYSA-N
XLogP0.33
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41082371
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 26120762
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)propanamide
CID 52895438
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)acetamide
CID 2366653
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ylacetamide
CID 8894400
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 42996497
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 71904469
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26120760
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
CID 4791103
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 26120873
(3S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 41137228
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide
CID 43059470

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide (CID 55337617) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide is COCCN(C(=O)C1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide?
The InChIKey is VLWQHQFCQLZJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-27-11-9-22(18(25)14-8-5-10-28-14)15-16(20)23(19(26)21-17(15)24)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,20H2,1H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide is sourced from PubChem (CID 55337617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).