7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C14H16N4 — CID 10610087

IUPAC7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CCN2Cc1ccccc1
InChIInChI=1S/C14H16N4/c1-10-12-7-8-18(13(12)17-14(15)16-10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
InChIKeyQCJGUTUXSYXBER-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.93
Rot. Bonds2

About 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 10610087) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID10610087
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CCN2Cc1ccccc1
InChIInChI=1S/C14H16N4/c1-10-12-7-8-18(13(12)17-14(15)16-10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
InChIKeyQCJGUTUXSYXBER-UHFFFAOYSA-N
XLogP1.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 10610087) is 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc(N)nc2c1CCN2Cc1ccccc1.
What is the InChIKey of 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is QCJGUTUXSYXBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-12-7-8-18(13(12)17-14(15)16-10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17).
What are the key properties of 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 10610087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).