4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one

C12H15ClN4O — CID 133357473

IUPAC4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESCc1nc(Cl)cc(NC2CC(=O)N(C3CC3)C2)n1
InChIInChI=1S/C12H15ClN4O/c1-7-14-10(13)5-11(15-7)16-8-4-12(18)17(6-8)9-2-3-9/h5,8-9H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyVVUYCSPLWYMIJP-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.61
Rot. Bonds3

About 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one

4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one (PubChem CID 133357473) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
PubChem CID133357473
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESCc1nc(Cl)cc(NC2CC(=O)N(C3CC3)C2)n1
InChIInChI=1S/C12H15ClN4O/c1-7-14-10(13)5-11(15-7)16-8-4-12(18)17(6-8)9-2-3-9/h5,8-9H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyVVUYCSPLWYMIJP-UHFFFAOYSA-N
XLogP1.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one (CID 133357473) is 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one is Cc1nc(Cl)cc(NC2CC(=O)N(C3CC3)C2)n1.
What is the InChIKey of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is VVUYCSPLWYMIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7-14-10(13)5-11(15-7)16-8-4-12(18)17(6-8)9-2-3-9/h5,8-9H,2-4,6H2,1H3,(H,14,15,16).
What are the key properties of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 133357473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).