3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one

C11H10N4O — CID 814506

IUPAC3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1nc2c([nH]c3ccccc32)c(=O)n1N
InChIInChI=1S/C11H10N4O/c1-6-13-9-7-4-2-3-5-8(7)14-10(9)11(16)15(6)12/h2-5,14H,12H2,1H3
InChIKeyNFCFIUSYAMHBAY-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.90
Rot. Bonds

About 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one

3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 814506) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one
PubChem CID814506
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1nc2c([nH]c3ccccc32)c(=O)n1N
InChIInChI=1S/C11H10N4O/c1-6-13-9-7-4-2-3-5-8(7)14-10(9)11(16)15(6)12/h2-5,14H,12H2,1H3
InChIKeyNFCFIUSYAMHBAY-UHFFFAOYSA-N
XLogP0.90
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indole-2-carbohydrazide
CID 231954
N-Phenyl-1H-indole-2-carboxamide
CID 589138
1H-Indole-2-carboxamide
CID 594832
3-phenyl-1H-indole-2-carbohydrazide
CID 2763658
5-fluoro-1H-indole-2-carbohydrazide
CID 2728177
3-Amino-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 910570
3-(2-Cyclohex-1-enyl-ethyl)-8-fluoro-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 919070
3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 658663
9-chloro-3-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-one
CID 665506
3-amino-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
CID 814544
2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-1H-quinazolin-4-one
CID 135519192
3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 916033

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one (CID 814506) is 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one is Cc1nc2c([nH]c3ccccc32)c(=O)n1N.
What is the InChIKey of 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is NFCFIUSYAMHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-6-13-9-7-4-2-3-5-8(7)14-10(9)11(16)15(6)12/h2-5,14H,12H2,1H3.
What are the key properties of 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one?
3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 214.23 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 814506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).