N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide

C19H24N4O4 — CID 4791103

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
SMILESNc1c(N(CCO)C(=O)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H24N4O4/c20-16-15(22(10-11-24)18(26)14-8-4-5-9-14)17(25)21-19(27)23(16)12-13-6-2-1-3-7-13/h1-3,6-7,14,24H,4-5,8-12,20H2,(H,21,25,27)
InChIKeyNNYOEFRUXQEEQP-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.68
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide (PubChem CID 4791103) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
PubChem CID4791103
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
SMILESNc1c(N(CCO)C(=O)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H24N4O4/c20-16-15(22(10-11-24)18(26)14-8-4-5-9-14)17(25)21-19(27)23(16)12-13-6-2-1-3-7-13/h1-3,6-7,14,24H,4-5,8-12,20H2,(H,21,25,27)
InChIKeyNNYOEFRUXQEEQP-UHFFFAOYSA-N
XLogP0.68
TPSA121.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8800403
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 31496736
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 55337617
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide
CID 51151302
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 16566521
(1S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2,2-dichloro-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 31302792
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-butyl-2-(2,6-dichlorophenyl)acetamide
CID 4816310
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide
CID 2474431
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 42996497

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide (CID 4791103) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide is Nc1c(N(CCO)C(=O)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide?
The InChIKey is NNYOEFRUXQEEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-16-15(22(10-11-24)18(26)14-8-4-5-9-14)17(25)21-19(27)23(16)12-13-6-2-1-3-7-13/h1-3,6-7,14,24H,4-5,8-12,20H2,(H,21,25,27).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide is sourced from PubChem (CID 4791103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).