4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile

C18H21N5 — CID 56715242

IUPAC4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2Cc3cnc(CC(C)C)nc3C2)n1
InChIInChI=1S/C18H21N5/c1-11(2)5-17-20-8-14-9-23(10-16(14)22-17)18-15(7-19)12(3)6-13(4)21-18/h6,8,11H,5,9-10H2,1-4H3
InChIKeyQWUSAZWBRMOZSJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.08
Rot. Bonds3

About 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile

4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile (PubChem CID 56715242) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile
PubChem CID56715242
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2Cc3cnc(CC(C)C)nc3C2)n1
InChIInChI=1S/C18H21N5/c1-11(2)5-17-20-8-14-9-23(10-16(14)22-17)18-15(7-19)12(3)6-13(4)21-18/h6,8,11H,5,9-10H2,1-4H3
InChIKeyQWUSAZWBRMOZSJ-UHFFFAOYSA-N
XLogP3.08
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

methyl 6-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-4-carboxylate
CID 56719241
2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine
CID 56722263
[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol
CID 56751026
6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 56743493
2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]benzonitrile
CID 56741221
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753171
2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 62310075
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 30636730
4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 60658707
4,6-dimethyl-2-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 60706426
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile (CID 56715242) is 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2Cc3cnc(CC(C)C)nc3C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
The InChIKey is QWUSAZWBRMOZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-11(2)5-17-20-8-14-9-23(10-16(14)22-17)18-15(7-19)12(3)6-13(4)21-18/h6,8,11H,5,9-10H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56715242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).