5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H18N6 — CID 135283795

IUPAC5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C19H18N6/c1-12-24-18(22-10-13-5-3-2-4-6-13)17-15(11-23-19(17)25-12)14-7-8-21-16(20)9-14/h2-9,11H,10H2,1H3,(H2,20,21)(H2,22,23,24,25)
InChIKeyPEXTWZUAIQCVBB-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.52
Rot. Bonds4

About 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135283795) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135283795
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C19H18N6/c1-12-24-18(22-10-13-5-3-2-4-6-13)17-15(11-23-19(17)25-12)14-7-8-21-16(20)9-14/h2-9,11H,10H2,1H3,(H2,20,21)(H2,22,23,24,25)
InChIKeyPEXTWZUAIQCVBB-UHFFFAOYSA-N
XLogP3.52
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-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 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 135283795) is 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccccc2)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PEXTWZUAIQCVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-12-24-18(22-10-13-5-3-2-4-6-13)17-15(11-23-19(17)25-12)14-7-8-21-16(20)9-14/h2-9,11H,10H2,1H3,(H2,20,21)(H2,22,23,24,25).
What are the key properties of 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135283795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).