4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one

C11H17N5O — CID 114157086

IUPAC4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCNc1nccc(NC2CNC(=O)C2)n1
InChIInChI=1S/C11H17N5O/c1-2-4-12-11-13-5-3-9(16-11)15-8-6-10(17)14-7-8/h3,5,8H,2,4,6-7H2,1H3,(H,14,17)(H2,12,13,15,16)
InChIKeyCOIOIOMURVVMEU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.60
Rot. Bonds5

About 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one

4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 114157086) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID114157086
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCNc1nccc(NC2CNC(=O)C2)n1
InChIInChI=1S/C11H17N5O/c1-2-4-12-11-13-5-3-9(16-11)15-8-6-10(17)14-7-8/h3,5,8H,2,4,6-7H2,1H3,(H,14,17)(H2,12,13,15,16)
InChIKeyCOIOIOMURVVMEU-UHFFFAOYSA-N
XLogP0.60
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198877
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198352
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198274
4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106192160
4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198314
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157084
4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-2-one
CID 103952529
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 103952551
4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198301

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 114157086) is 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one is CCCNc1nccc(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is COIOIOMURVVMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-4-12-11-13-5-3-9(16-11)15-8-6-10(17)14-7-8/h3,5,8H,2,4,6-7H2,1H3,(H,14,17)(H2,12,13,15,16).
What are the key properties of 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 114157086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).