7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione

C10H15N5O4 — CID 706629

IUPAC7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
SMILESCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)CO
InChIInChI=1S/C10H15N5O4/c1-11-9-12-7-6(15(9)3-5(17)4-16)8(18)13-10(19)14(7)2/h5,16-17H,3-4H2,1-2H3,(H,11,12)(H,13,18,19)/t5-/m1/s1
InChIKeyJHRBFCTUZYXXKX-RXMQYKEDSA-N
MW269.26 g/mol
LogP-2.18
Rot. Bonds4

About 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione

7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione (PubChem CID 706629) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione.

Molecular Properties

Compound Name7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
PubChem CID706629
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
SMILESCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)CO
InChIInChI=1S/C10H15N5O4/c1-11-9-12-7-6(15(9)3-5(17)4-16)8(18)13-10(19)14(7)2/h5,16-17H,3-4H2,1-2H3,(H,11,12)(H,13,18,19)/t5-/m1/s1
InChIKeyJHRBFCTUZYXXKX-RXMQYKEDSA-N
XLogP-2.18
TPSA125.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 3144865
8-anilino-7-[(2R)-2,3-dihydroxypropyl]-3-methylpurine-2,6-dione
CID 99806691
8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione
CID 3120017
N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide
CID 27370815
7-[(2R)-2,3-dihydroxypropyl]-8-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 136800765
7-[(2S)-2,3-dihydroxypropyl]-8-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 7367860
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
7-[(2S)-2,3-dihydroxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 40692587
8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methylpurine-2,6-dione
CID 40537553
7-[(2S)-2-hydroxy-3-phenoxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione
CID 7006885
8-(ethylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methylpurine-2,6-dione
CID 6484522
7-[(2R)-2,3-dihydroxypropyl]-8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methylpurine-2,6-dione
CID 136765526

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione?
The IUPAC name of 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione (CID 706629) is 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione.
What is the SMILES notation for 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione?
The canonical SMILES for 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione is CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)CO.
What is the InChIKey of 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione?
The InChIKey is JHRBFCTUZYXXKX-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-11-9-12-7-6(15(9)3-5(17)4-16)8(18)13-10(19)14(7)2/h5,16-17H,3-4H2,1-2H3,(H,11,12)(H,13,18,19)/t5-/m1/s1.
What are the key properties of 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione?
7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione has a molecular weight of 269.26 g/mol, XLogP of -2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione is sourced from PubChem (CID 706629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).