4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one

C8H10ClN5O — CID 106182693

IUPAC4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNc1c(Cl)ncnc1NC1CNC(=O)C1
InChIInChI=1S/C8H10ClN5O/c9-7-6(10)8(13-3-12-7)14-4-1-5(15)11-2-4/h3-4H,1-2,10H2,(H,11,15)(H,12,13,14)
InChIKeyWQFNBDIYIBQTBS-UHFFFAOYSA-N
MW227.66 g/mol
LogP0.01
Rot. Bonds2

About 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106182693) has the molecular formula C8H10ClN5O and a molecular weight of 227.66 g/mol. Its IUPAC name is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106182693
Molecular FormulaC8H10ClN5O
Molecular Weight227.66 g/mol
Exact Mass227.06
IUPAC Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNc1c(Cl)ncnc1NC1CNC(=O)C1
InChIInChI=1S/C8H10ClN5O/c9-7-6(10)8(13-3-12-7)14-4-1-5(15)11-2-4/h3-4H,1-2,10H2,(H,11,15)(H,12,13,14)
InChIKeyWQFNBDIYIBQTBS-UHFFFAOYSA-N
XLogP0.01
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.66
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-chloro-5-nitropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192268
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198309
4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde
CID 66366545
4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198376
methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate
CID 114157000
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332
5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64655109
4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198314
4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
CID 107143665
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 14104444

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106182693) is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one is Nc1c(Cl)ncnc1NC1CNC(=O)C1.
What is the InChIKey of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is WQFNBDIYIBQTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O/c9-7-6(10)8(13-3-12-7)14-4-1-5(15)11-2-4/h3-4H,1-2,10H2,(H,11,15)(H,12,13,14).
What are the key properties of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 227.66 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106182693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).