1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one

C14H19ClN6O — CID 117082328

IUPAC1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESCCCNc1nc(Cl)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C14H19ClN6O/c1-2-5-16-12-11-13(19-14(15)18-12)21(9-17-11)8-7-20-6-3-4-10(20)22/h9H,2-8H2,1H3,(H,16,18,19)
InChIKeyPHGXAXVZWHPVKG-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.92
Rot. Bonds6

About 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one

1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one (PubChem CID 117082328) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
PubChem CID117082328
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESCCCNc1nc(Cl)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C14H19ClN6O/c1-2-5-16-12-11-13(19-14(15)18-12)21(9-17-11)8-7-20-6-3-4-10(20)22/h9H,2-8H2,1H3,(H,16,18,19)
InChIKeyPHGXAXVZWHPVKG-UHFFFAOYSA-N
XLogP1.92
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(3-acetylphenyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117087785
N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
CID 117079484
2-chloro-N-propyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117084564
1-[3-[[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyrimidin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084307
N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide
CID 117082572
9-butyl-2-chloro-N-methylpurin-6-amine
CID 142222305
1-[2-[2-[(2-methylpyrazol-3-yl)amino]-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117092064
1-[2-[2-(3-acetylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]purin-9-yl]ethyl]pyrrolidin-2-one
CID 117086122
1-[2-[2-(6-methoxy-3-pyridinyl)-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082665
1-[2-[2-(3-aminophenyl)-6-(benzylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117081764
1-[2-[6-(benzylamino)-2-thiophen-2-ylpurin-9-yl]ethyl]pyrrolidin-2-one
CID 117089731
1-[2-[6-[2-(4-hydroxyphenyl)ethylamino]-2-(pyrimidin-4-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117086525

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one (CID 117082328) is 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one is CCCNc1nc(Cl)nc2c1ncn2CCN1CCCC1=O.
What is the InChIKey of 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The InChIKey is PHGXAXVZWHPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O/c1-2-5-16-12-11-13(19-14(15)18-12)21(9-17-11)8-7-20-6-3-4-10(20)22/h9H,2-8H2,1H3,(H,16,18,19).
What are the key properties of 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one has a molecular weight of 322.80 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 117082328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).