2-(methylamino)-1,7-dihydropurin-6-one

C6H7N5O — CID 135426867

IUPAC2-(methylamino)-1,7-dihydropurin-6-one
SMILESCNc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12)
InChIKeySGSSKEDGVONRGC-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.31
Rot. Bonds1

About 2-(methylamino)-1,7-dihydropurin-6-one

2-(methylamino)-1,7-dihydropurin-6-one (PubChem CID 135426867) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-(methylamino)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(methylamino)-1,7-dihydropurin-6-one
PubChem CID135426867
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name2-(methylamino)-1,7-dihydropurin-6-one
SMILESCNc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12)
InChIKeySGSSKEDGVONRGC-UHFFFAOYSA-N
XLogP-0.31
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Hypoxanthine
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Temozolomide
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Dacarbazine
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CID 9679
Enprofylline
CID 1676

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(methylamino)-1,7-dihydropurin-6-one (CID 135426867) is 2-(methylamino)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(methylamino)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(methylamino)-1,7-dihydropurin-6-one is CNc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-1,7-dihydropurin-6-one?
The InChIKey is SGSSKEDGVONRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12).
What are the key properties of 2-(methylamino)-1,7-dihydropurin-6-one?
2-(methylamino)-1,7-dihydropurin-6-one has a molecular weight of 165.16 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1,7-dihydropurin-6-one is sourced from PubChem (CID 135426867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).