8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione

C10H15N5O2 — CID 776144

IUPAC8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
SMILESCC[C@@H](C)n1c(N)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-4-5(2)15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h5H,4H2,1-3H3,(H2,11,12)(H,13,16,17)/t5-/m1/s1
InChIKeyMSMLNIKDZWHQTO-RXMQYKEDSA-N
MW237.26 g/mol
LogP-0.02
Rot. Bonds2

About 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione

8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione (PubChem CID 776144) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
PubChem CID776144
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
SMILESCC[C@@H](C)n1c(N)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-4-5(2)15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h5H,4H2,1-3H3,(H2,11,12)(H,13,16,17)/t5-/m1/s1
InChIKeyMSMLNIKDZWHQTO-RXMQYKEDSA-N
XLogP-0.02
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione with MolForge

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Related Compounds

7-[(2R)-butan-2-yl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione
CID 6939531
3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione
CID 82464271
8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 787610
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
CID 143283838
8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione
CID 82464848
8-(1-aminoethyl)-3,7-dimethylpurine-2,6-dione
CID 82463947
8-amino-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 776805
ethyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylbutanoate
CID 3111705
ethyl (2R)-2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylbutanoate
CID 1108929
8-amino-3-ethyl-7-methylpurine-2,6-dione
CID 82463984
3,7-dimethyl-8-(2-methylpropyl)purine-2,6-dione
CID 70556316
8-(3-aminopropylamino)-3-butan-2-yl-7-methylpurine-2,6-dione
CID 82464265

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione?
The IUPAC name of 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione (CID 776144) is 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione?
The canonical SMILES for 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione is CC[C@@H](C)n1c(N)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione?
The InChIKey is MSMLNIKDZWHQTO-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-5(2)15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h5H,4H2,1-3H3,(H2,11,12)(H,13,16,17)/t5-/m1/s1.
What are the key properties of 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione?
8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione is sourced from PubChem (CID 776144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).