3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one

C20H31N5O2 — CID 126891297

IUPAC3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1cc(N(C2CC2)C2CCN(C3CCN(C(C)C)C3=O)CC2)ncn1
InChIInChI=1S/C20H31N5O2/c1-14(2)24-11-8-17(20(24)26)23-9-6-16(7-10-23)25(15-4-5-15)18-12-19(27-3)22-13-21-18/h12-17H,4-11H2,1-3H3
InChIKeyXXAHKWKPISQZID-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.93
Rot. Bonds6

About 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one

3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 126891297) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID126891297
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1cc(N(C2CC2)C2CCN(C3CCN(C(C)C)C3=O)CC2)ncn1
InChIInChI=1S/C20H31N5O2/c1-14(2)24-11-8-17(20(24)26)23-9-6-16(7-10-23)25(15-4-5-15)18-12-19(27-3)22-13-21-18/h12-17H,4-11H2,1-3H3
InChIKeyXXAHKWKPISQZID-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one 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 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 126891297) is 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is COc1cc(N(C2CC2)C2CCN(C3CCN(C(C)C)C3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is XXAHKWKPISQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-14(2)24-11-8-17(20(24)26)23-9-6-16(7-10-23)25(15-4-5-15)18-12-19(27-3)22-13-21-18/h12-17H,4-11H2,1-3H3.
What are the key properties of 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one?
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 126891297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).