[2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone

C12H16N4O2 — CID 72917857

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CC=CC2CO)cn1
InChIInChI=1S/C12H16N4O2/c1-2-13-12-14-6-9(7-15-12)11(18)16-5-3-4-10(16)8-17/h3-4,6-7,10,17H,2,5,8H2,1H3,(H,13,14,15)
InChIKeyFKTGZAZVJSAVMS-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.28
Rot. Bonds4

About [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 72917857) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID72917857
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CC=CC2CO)cn1
InChIInChI=1S/C12H16N4O2/c1-2-13-12-14-6-9(7-15-12)11(18)16-5-3-4-10(16)8-17/h3-4,6-7,10,17H,2,5,8H2,1H3,(H,13,14,15)
InChIKeyFKTGZAZVJSAVMS-UHFFFAOYSA-N
XLogP0.28
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone (CID 72917857) is [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone is CCNc1ncc(C(=O)N2CC=CC2CO)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is FKTGZAZVJSAVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-13-12-14-6-9(7-15-12)11(18)16-5-3-4-10(16)8-17/h3-4,6-7,10,17H,2,5,8H2,1H3,(H,13,14,15).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 248.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 72917857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).