7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine

C16H16N4 — CID 10378133

IUPAC7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ccc3c(NC4CC4)ncnc32)cc1
InChIInChI=1S/C16H16N4/c1-2-4-12(5-3-1)10-20-9-8-14-15(19-13-6-7-13)17-11-18-16(14)20/h1-5,8-9,11,13H,6-7,10H2,(H,17,18,19)
InChIKeyYLBZWDZRRZZAGF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.05
Rot. Bonds4

About 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine

7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10378133) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10378133
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ccc3c(NC4CC4)ncnc32)cc1
InChIInChI=1S/C16H16N4/c1-2-4-12(5-3-1)10-20-9-8-14-15(19-13-6-7-13)17-11-18-16(14)20/h1-5,8-9,11,13H,6-7,10H2,(H,17,18,19)
InChIKeyYLBZWDZRRZZAGF-UHFFFAOYSA-N
XLogP3.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-benzyl-N-cyclopropylpyrrolo[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 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine (CID 10378133) is 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(Cn2ccc3c(NC4CC4)ncnc32)cc1.
What is the InChIKey of 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YLBZWDZRRZZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-4-12(5-3-1)10-20-9-8-14-15(19-13-6-7-13)17-11-18-16(14)20/h1-5,8-9,11,13H,6-7,10H2,(H,17,18,19).
What are the key properties of 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10378133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).