4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile

C9H10N4O — CID 171808434

IUPAC4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
SMILESCOc1nc(C#N)nc2c1C(C)NC2
InChIInChI=1S/C9H10N4O/c1-5-8-6(4-11-5)12-7(3-10)13-9(8)14-2/h5,11H,4H2,1-2H3
InChIKeyRKYDNXVBBVHOJT-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.52
Rot. Bonds1

About 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile

4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile (PubChem CID 171808434) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
PubChem CID171808434
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
SMILESCOc1nc(C#N)nc2c1C(C)NC2
InChIInChI=1S/C9H10N4O/c1-5-8-6(4-11-5)12-7(3-10)13-9(8)14-2/h5,11H,4H2,1-2H3
InChIKeyRKYDNXVBBVHOJT-UHFFFAOYSA-N
XLogP0.52
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115031086
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808732
4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 171808742
4-Methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
CID 83919695
2-[4-Methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 105495722
5-(2-Aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 105497430
2-(difluoromethoxy)-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 171808808
2-fluoro-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 172576511
4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 22707067
5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine
CID 45059041

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
The IUPAC name of 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile (CID 171808434) is 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile is COc1nc(C#N)nc2c1C(C)NC2.
What is the InChIKey of 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
The InChIKey is RKYDNXVBBVHOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-8-6(4-11-5)12-7(3-10)13-9(8)14-2/h5,11H,4H2,1-2H3.
What are the key properties of 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile?
4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 171808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).