6-imino-3-methyl-7,9-dihydropurin-8-one

C6H7N5O — CID 135546996

IUPAC6-imino-3-methyl-7,9-dihydropurin-8-one
SMILES[H]/N=c1\ncn(C)c2[nH]c(=O)[nH]c12
InChIInChI=1S/C6H7N5O/c1-11-2-8-4(7)3-5(11)10-6(12)9-3/h2,7H,1H3,(H2,9,10,12)/b7-4-
InChIKeyUVPOHOISPLRUAW-DAXSKMNVSA-N
MW165.16 g/mol
LogP-0.93
Rot. Bonds

About 6-imino-3-methyl-7,9-dihydropurin-8-one

6-imino-3-methyl-7,9-dihydropurin-8-one (PubChem CID 135546996) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 6-imino-3-methyl-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name6-imino-3-methyl-7,9-dihydropurin-8-one
PubChem CID135546996
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name6-imino-3-methyl-7,9-dihydropurin-8-one
SMILES[H]/N=c1\ncn(C)c2[nH]c(=O)[nH]c12
InChIInChI=1S/C6H7N5O/c1-11-2-8-4(7)3-5(11)10-6(12)9-3/h2,7H,1H3,(H2,9,10,12)/b7-4-
InChIKeyUVPOHOISPLRUAW-DAXSKMNVSA-N
XLogP-0.93
TPSA90.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-imino-3-methyl-7,9-dihydropurin-8-one?
The IUPAC name of 6-imino-3-methyl-7,9-dihydropurin-8-one (CID 135546996) is 6-imino-3-methyl-7,9-dihydropurin-8-one.
What is the SMILES notation for 6-imino-3-methyl-7,9-dihydropurin-8-one?
The canonical SMILES for 6-imino-3-methyl-7,9-dihydropurin-8-one is [H]/N=c1\ncn(C)c2[nH]c(=O)[nH]c12.
What is the InChIKey of 6-imino-3-methyl-7,9-dihydropurin-8-one?
The InChIKey is UVPOHOISPLRUAW-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H7N5O/c1-11-2-8-4(7)3-5(11)10-6(12)9-3/h2,7H,1H3,(H2,9,10,12)/b7-4-.
What are the key properties of 6-imino-3-methyl-7,9-dihydropurin-8-one?
6-imino-3-methyl-7,9-dihydropurin-8-one has a molecular weight of 165.16 g/mol, XLogP of -0.93, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3-methyl-7,9-dihydropurin-8-one is sourced from PubChem (CID 135546996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).