3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

C11H10N4O2 — CID 910570

IUPAC3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESCc1ccc2[nH]c3c(=O)n(N)c(=O)[nH]c3c2c1
InChIInChI=1S/C11H10N4O2/c1-5-2-3-7-6(4-5)8-9(13-7)10(16)15(12)11(17)14-8/h2-4,13H,12H2,1H3,(H,14,17)
InChIKeyXCXHPWYYNHOFQS-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.19
Rot. Bonds

About 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (PubChem CID 910570) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.

Molecular Properties

Compound Name3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
PubChem CID910570
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESCc1ccc2[nH]c3c(=O)n(N)c(=O)[nH]c3c2c1
InChIInChI=1S/C11H10N4O2/c1-5-2-3-7-6(4-5)8-9(13-7)10(16)15(12)11(17)14-8/h2-4,13H,12H2,1H3,(H,14,17)
InChIKeyXCXHPWYYNHOFQS-UHFFFAOYSA-N
XLogP0.19
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The IUPAC name of 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CID 910570) is 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
What is the SMILES notation for 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The canonical SMILES for 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is Cc1ccc2[nH]c3c(=O)n(N)c(=O)[nH]c3c2c1.
What is the InChIKey of 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The InChIKey is XCXHPWYYNHOFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-5-2-3-7-6(4-5)8-9(13-7)10(16)15(12)11(17)14-8/h2-4,13H,12H2,1H3,(H,14,17).
What are the key properties of 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione has a molecular weight of 230.23 g/mol, XLogP of 0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is sourced from PubChem (CID 910570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).