2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile

C20H20N6 — CID 70671764

IUPAC2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile
SMILESCc1nc(N)nc(-c2ccc(C(C)(C)C#N)cc2)c1-c1ccc(N)nc1
InChIInChI=1S/C20H20N6/c1-12-17(14-6-9-16(22)24-10-14)18(26-19(23)25-12)13-4-7-15(8-5-13)20(2,3)11-21/h4-10H,1-3H3,(H2,22,24)(H2,23,25,26)
InChIKeyAYZAEMMPWKVVSQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.48
Rot. Bonds3

About 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile

2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile (PubChem CID 70671764) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile
PubChem CID70671764
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile
SMILESCc1nc(N)nc(-c2ccc(C(C)(C)C#N)cc2)c1-c1ccc(N)nc1
InChIInChI=1S/C20H20N6/c1-12-17(14-6-9-16(22)24-10-14)18(26-19(23)25-12)13-4-7-15(8-5-13)20(2,3)11-21/h4-10H,1-3H3,(H2,22,24)(H2,23,25,26)
InChIKeyAYZAEMMPWKVVSQ-UHFFFAOYSA-N
XLogP3.48
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile 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-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile (CID 70671764) is 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile is Cc1nc(N)nc(-c2ccc(C(C)(C)C#N)cc2)c1-c1ccc(N)nc1.
What is the InChIKey of 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile?
The InChIKey is AYZAEMMPWKVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-12-17(14-6-9-16(22)24-10-14)18(26-19(23)25-12)13-4-7-15(8-5-13)20(2,3)11-21/h4-10H,1-3H3,(H2,22,24)(H2,23,25,26).
What are the key properties of 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile?
2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile has a molecular weight of 344.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 70671764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).