6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one

C8H12N4O — CID 83862269

IUPAC6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c2c1CN(C)C2
InChIInChI=1S/C8H12N4O/c1-9-7-5-3-12(2)4-6(5)10-8(13)11-7/h3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyOHKLDFQTTJMMKU-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.24
Rot. Bonds1

About 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one

6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one (PubChem CID 83862269) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one
PubChem CID83862269
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one
SMILESCNc1nc(=O)[nH]c2c1CN(C)C2
InChIInChI=1S/C8H12N4O/c1-9-7-5-3-12(2)4-6(5)10-8(13)11-7/h3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyOHKLDFQTTJMMKU-UHFFFAOYSA-N
XLogP-0.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde
CID 83862948
4-(methylamino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83862595
4-(methylamino)-5,6,8,9-tetrahydro-1H-thiepino[4,5-d]pyrimidin-2-one
CID 83871658
5-amino-6-methyl-4-(methylamino)-1H-pyrimidin-2-one
CID 131028516
N,2,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 83862578
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
CID 83862944
4-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83846400
4-(methylaminomethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one
CID 83871375
4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one
CID 147755232
3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one
CID 122435314
7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 58523931
4-(cyclopropylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83863252

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one (CID 83862269) is 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one is CNc1nc(=O)[nH]c2c1CN(C)C2.
What is the InChIKey of 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one?
The InChIKey is OHKLDFQTTJMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-9-7-5-3-12(2)4-6(5)10-8(13)11-7/h3-4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one?
6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).