2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C15H11ClN6 — CID 139474891

IUPAC2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc(-c3cn[nH]c3)cc2)c2[nH]ccc2n1
InChIInChI=1S/C15H11ClN6/c16-15-21-12-5-6-17-13(12)14(22-15)20-11-3-1-9(2-4-11)10-7-18-19-8-10/h1-8,17H,(H,18,19)(H,20,21,22)
InChIKeyZDZMIYYYLLYGDU-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.74
Rot. Bonds3

About 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 139474891) has the molecular formula C15H11ClN6 and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID139474891
Molecular FormulaC15H11ClN6
Molecular Weight310.75 g/mol
Exact Mass310.07
IUPAC Name2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc(-c3cn[nH]c3)cc2)c2[nH]ccc2n1
InChIInChI=1S/C15H11ClN6/c16-15-21-12-5-6-17-13(12)14(22-15)20-11-3-1-9(2-4-11)10-7-18-19-8-10/h1-8,17H,(H,18,19)(H,20,21,22)
InChIKeyZDZMIYYYLLYGDU-UHFFFAOYSA-N
XLogP3.74
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-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 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 139474891) is 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is Clc1nc(Nc2ccc(-c3cn[nH]c3)cc2)c2[nH]ccc2n1.
What is the InChIKey of 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is ZDZMIYYYLLYGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6/c16-15-21-12-5-6-17-13(12)14(22-15)20-11-3-1-9(2-4-11)10-7-18-19-8-10/h1-8,17H,(H,18,19)(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 310.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 139474891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).