4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C12H15ClN4O — CID 106192202

IUPAC4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CNC(=O)C1
InChIInChI=1S/C12H15ClN4O/c1-6-10(13)16-12(7-2-3-7)17-11(6)15-8-4-9(18)14-5-8/h7-8H,2-5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJXQHBYHNJZXPQL-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.62
Rot. Bonds3

About 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106192202) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106192202
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CNC(=O)C1
InChIInChI=1S/C12H15ClN4O/c1-6-10(13)16-12(7-2-3-7)17-11(6)15-8-4-9(18)14-5-8/h7-8H,2-5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJXQHBYHNJZXPQL-UHFFFAOYSA-N
XLogP1.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106192202) is 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1c(Cl)nc(C2CC2)nc1NC1CNC(=O)C1.
What is the InChIKey of 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is JXQHBYHNJZXPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-6-10(13)16-12(7-2-3-7)17-11(6)15-8-4-9(18)14-5-8/h7-8H,2-5H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106192202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).