2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H15N3 — CID 83850042

IUPAC2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1ccc(-c2nc(C)nc3c2CNC3)cc1
InChIInChI=1S/C14H15N3/c1-9-3-5-11(6-4-9)14-12-7-15-8-13(12)16-10(2)17-14/h3-6,15H,7-8H2,1-2H3
InChIKeyIGFOIGLZXGZRHL-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.36
Rot. Bonds1

About 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 83850042) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID83850042
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1ccc(-c2nc(C)nc3c2CNC3)cc1
InChIInChI=1S/C14H15N3/c1-9-3-5-11(6-4-9)14-12-7-15-8-13(12)16-10(2)17-14/h3-6,15H,7-8H2,1-2H3
InChIKeyIGFOIGLZXGZRHL-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566
4-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)phenol
CID 155901005
4-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;methane
CID 155687907
4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 46201971
4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83845774
2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 83850035
1-[2-methyl-4-(4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone;hydrate
CID 19883239
2-[(4-methylphenyl)sulfanylmethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941290
2-methyl-4-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83847206
N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 83850042) is 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1ccc(-c2nc(C)nc3c2CNC3)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is IGFOIGLZXGZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-9-3-5-11(6-4-9)14-12-7-15-8-13(12)16-10(2)17-14/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 225.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 83850042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).