CID 70394706

C8H10KN4O2 — CID 70394706

IUPAC—
SMILESCCn1c(=O)[nH]c(=O)c2c1ncn2C.[K]
InChIInChI=1S/C8H10N4O2.K/c1-3-12-6-5(11(2)4-9-6)7(13)10-8(12)14;/h4H,3H2,1-2H3,(H,10,13,14);
InChIKeyRYKFANSQAMKXPK-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.94
Rot. Bonds1

About CID 70394706

CID 70394706 (PubChem CID 70394706) has the molecular formula C8H10KN4O2 and a molecular weight of 233.29 g/mol.

Molecular Properties

Compound NameCID 70394706
PubChem CID70394706
Molecular FormulaC8H10KN4O2
Molecular Weight233.29 g/mol
Exact Mass233.04
IUPAC Name—
SMILESCCn1c(=O)[nH]c(=O)c2c1ncn2C.[K]
InChIInChI=1S/C8H10N4O2.K/c1-3-12-6-5(11(2)4-9-6)7(13)10-8(12)14;/h4H,3H2,1-2H3,(H,10,13,14);
InChIKeyRYKFANSQAMKXPK-UHFFFAOYSA-N
XLogP-0.94
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-7-methylpurine-2,6-dione
CID 150670928
3-(ethylaminomethyl)-7-methylpurine-2,6-dione
CID 172774633
7-(3-aminopropyl)-3-ethylpurine-2,6-dione
CID 82465591
3-(3-hydroxybutyl)-7-methylpurine-2,6-dione
CID 163944099
7-methyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pentyl]purine-2,6-dione
CID 159580194
3,7-dimethylpurine-2,6-dione;oxovanadium(2+);sulfate
CID 87299220
sodium;3,7-dimethylpurine-2,6-dione;acetate
CID 23689356
3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
CID 82465600
8-amino-3-ethyl-7-methylpurine-2,6-dione
CID 82463984
7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione
CID 66709883
8-bromo-3,7-diethylpurine-2,6-dione
CID 82464024
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994

Frequently Asked Questions

What is the IUPAC name of CID 70394706?
The IUPAC name of CID 70394706 (CID 70394706) is not available.
What is the SMILES notation for CID 70394706?
The canonical SMILES for CID 70394706 is CCn1c(=O)[nH]c(=O)c2c1ncn2C.[K].
What is the InChIKey of CID 70394706?
The InChIKey is RYKFANSQAMKXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.K/c1-3-12-6-5(11(2)4-9-6)7(13)10-8(12)14;/h4H,3H2,1-2H3,(H,10,13,14);.
What are the key properties of CID 70394706?
CID 70394706 has a molecular weight of 233.29 g/mol, XLogP of -0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70394706 is sourced from PubChem (CID 70394706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).