2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C19H25N7O2 — CID 122321294

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)NCCNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C19H25N7O2/c27-18(12-26-13-22-16(10-19(26)28)14-3-4-14)21-6-5-20-17-9-15(11-23-24-17)25-7-1-2-8-25/h9-11,13-14H,1-8,12H2,(H,20,24)(H,21,27)
InChIKeyGHHUZCHVENCBSR-UHFFFAOYSA-N
MW383.46 g/mol
LogP0.74
Rot. Bonds8

About 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122321294) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122321294
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)NCCNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C19H25N7O2/c27-18(12-26-13-22-16(10-19(26)28)14-3-4-14)21-6-5-20-17-9-15(11-23-24-17)25-7-1-2-8-25/h9-11,13-14H,1-8,12H2,(H,20,24)(H,21,27)
InChIKeyGHHUZCHVENCBSR-UHFFFAOYSA-N
XLogP0.74
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122321294) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide is O=C(Cn1cnc(C2CC2)cc1=O)NCCNc1cc(N2CCCC2)cnn1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is GHHUZCHVENCBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c27-18(12-26-13-22-16(10-19(26)28)14-3-4-14)21-6-5-20-17-9-15(11-23-24-17)25-7-1-2-8-25/h9-11,13-14H,1-8,12H2,(H,20,24)(H,21,27).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122321294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).