8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione

C14H20N6O4 — CID 56799940

IUPAC8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione
SMILESCn1c(NCC(O)CN2CCCC2=O)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H20N6O4/c1-18-10-11(19(2)14(24)17-12(10)23)16-13(18)15-6-8(21)7-20-5-3-4-9(20)22/h8,21H,3-7H2,1-2H3,(H,15,16)(H,17,23,24)
InChIKeyYDPAVMXBRZPWNM-UHFFFAOYSA-N
MW336.35 g/mol
LogP-1.64
Rot. Bonds5

About 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione

8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione (PubChem CID 56799940) has the molecular formula C14H20N6O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione
PubChem CID56799940
Molecular FormulaC14H20N6O4
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Name8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione
SMILESCn1c(NCC(O)CN2CCCC2=O)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H20N6O4/c1-18-10-11(19(2)14(24)17-12(10)23)16-13(18)15-6-8(21)7-20-5-3-4-9(20)22/h8,21H,3-7H2,1-2H3,(H,15,16)(H,17,23,24)
InChIKeyYDPAVMXBRZPWNM-UHFFFAOYSA-N
XLogP-1.64
TPSA125.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione with MolForge

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Related Compounds

1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
CID 706629
8-[[(1R,2S)-2-(aminomethyl)cyclopentyl]amino]-3,7-dimethylpurine-2,6-dione
CID 154864923
8-(benzylamino)-3,7-dimethylpurine-2,6-dione
CID 677712
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 3144865
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
7-[(Z)-3-chlorobut-2-enyl]-8-[[(2S)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione
CID 42476703
8-anilino-7-[(2R)-2,3-dihydroxypropyl]-3-methylpurine-2,6-dione
CID 99806691
7-[(2R)-3-chloro-2-hydroxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 677803
8-(azepan-1-yl)-7-[(2R)-3-chloro-2-hydroxypropyl]-3-methylpurine-2,6-dione
CID 1102620
8-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]-3,7-dimethylpurine-2,6-dione
CID 122559941
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione
CID 16805172

Frequently Asked Questions

What is the IUPAC name of 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione (CID 56799940) is 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione is Cn1c(NCC(O)CN2CCCC2=O)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione?
The InChIKey is YDPAVMXBRZPWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4/c1-18-10-11(19(2)14(24)17-12(10)23)16-13(18)15-6-8(21)7-20-5-3-4-9(20)22/h8,21H,3-7H2,1-2H3,(H,15,16)(H,17,23,24).
What are the key properties of 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione?
8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione has a molecular weight of 336.35 g/mol, XLogP of -1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]amino]-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 56799940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).