9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione

C10H14N6O2 — CID 71017772

IUPAC9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione
SMILESCn1c(=O)[nH]c2c(N3CCNCC3)nc(=O)[nH]c21
InChIInChI=1S/C10H14N6O2/c1-15-7-6(12-10(15)18)8(14-9(17)13-7)16-4-2-11-3-5-16/h11H,2-5H2,1H3,(H,12,18)(H,13,14,17)
InChIKeyWNVYWCNLEJNHNS-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.64
Rot. Bonds1

About 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione

9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione (PubChem CID 71017772) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione.

Molecular Properties

Compound Name9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione
PubChem CID71017772
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione
SMILESCn1c(=O)[nH]c2c(N3CCNCC3)nc(=O)[nH]c21
InChIInChI=1S/C10H14N6O2/c1-15-7-6(12-10(15)18)8(14-9(17)13-7)16-4-2-11-3-5-16/h11H,2-5H2,1H3,(H,12,18)(H,13,14,17)
InChIKeyWNVYWCNLEJNHNS-UHFFFAOYSA-N
XLogP-1.64
TPSA98.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione with MolForge

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Launch Full Analysis

Related Compounds

2-[(9-methyl-8-oxo-6-piperazin-1-yl-7H-purin-2-yl)oxy]benzonitrile
CID 71017785
2-chloro-9-methyl-6-piperazin-1-yl-7H-purin-8-one;2,2,2-trifluoroacetic acid
CID 86605132
4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101883
2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetamide
CID 4278932
7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3H-purine-2,6-dione
CID 22029538
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655
6-methyl-5-piperazin-1-yl-1,2,4-triazine
CID 116823260
6-piperazin-1-yl-7,9-dihydropurin-8-one
CID 11586587
ethyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetate
CID 132585677
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 84682986
8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride
CID 19969708

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione?
The IUPAC name of 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione (CID 71017772) is 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione.
What is the SMILES notation for 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione?
The canonical SMILES for 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione is Cn1c(=O)[nH]c2c(N3CCNCC3)nc(=O)[nH]c21.
What is the InChIKey of 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione?
The InChIKey is WNVYWCNLEJNHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-15-7-6(12-10(15)18)8(14-9(17)13-7)16-4-2-11-3-5-16/h11H,2-5H2,1H3,(H,12,18)(H,13,14,17).
What are the key properties of 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione?
9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione has a molecular weight of 250.26 g/mol, XLogP of -1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-piperazin-1-yl-3,7-dihydropurine-2,8-dione is sourced from PubChem (CID 71017772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).