4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine

C14H12N6O — CID 170970741

IUPAC4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3ncccn3)n2)ccn1
InChIInChI=1S/C14H12N6O/c1-21-12-9-10(3-7-15-12)11-4-8-18-14(19-11)20-13-16-5-2-6-17-13/h2-9H,1H3,(H,16,17,18,19,20)
InChIKeyNOVVSNSOTAGATB-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.08
Rot. Bonds4

About 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine

4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine (PubChem CID 170970741) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
PubChem CID170970741
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3ncccn3)n2)ccn1
InChIInChI=1S/C14H12N6O/c1-21-12-9-10(3-7-15-12)11-4-8-18-14(19-11)20-13-16-5-2-6-17-13/h2-9H,1H3,(H,16,17,18,19,20)
InChIKeyNOVVSNSOTAGATB-UHFFFAOYSA-N
XLogP2.08
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-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 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine (CID 170970741) is 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine is COc1cc(-c2ccnc(Nc3ncccn3)n2)ccn1.
What is the InChIKey of 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine?
The InChIKey is NOVVSNSOTAGATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-21-12-9-10(3-7-15-12)11-4-8-18-14(19-11)20-13-16-5-2-6-17-13/h2-9H,1H3,(H,16,17,18,19,20).
What are the key properties of 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine?
4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine has a molecular weight of 280.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 170970741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).