3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C18H22N6O2 — CID 122569048

IUPAC3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESNc1cc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)nc(N)n1
InChIInChI=1S/C18H22N6O2/c19-15-11-14(22-18(20)23-15)12-4-1-5-13(10-12)17(26)21-7-3-9-24-8-2-6-16(24)25/h1,4-5,10-11H,2-3,6-9H2,(H,21,26)(H4,19,20,22,23)
InChIKeyDYBUHPJTAIDULD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.05
Rot. Bonds6

About 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 122569048) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID122569048
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESNc1cc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)nc(N)n1
InChIInChI=1S/C18H22N6O2/c19-15-11-14(22-18(20)23-15)12-4-1-5-13(10-12)17(26)21-7-3-9-24-8-2-6-16(24)25/h1,4-5,10-11H,2-3,6-9H2,(H,21,26)(H4,19,20,22,23)
InChIKeyDYBUHPJTAIDULD-UHFFFAOYSA-N
XLogP1.05
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
3-chloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46537539
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
3-(2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 50959619
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
3-(5-hydroxy-2-pyridinyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 122570247
2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571915
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 126678981
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 122569048) is 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is Nc1cc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)nc(N)n1.
What is the InChIKey of 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is DYBUHPJTAIDULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-15-11-14(22-18(20)23-15)12-4-1-5-13(10-12)17(26)21-7-3-9-24-8-2-6-16(24)25/h1,4-5,10-11H,2-3,6-9H2,(H,21,26)(H4,19,20,22,23).
What are the key properties of 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 122569048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).