4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine

C22H20N6O — CID 11696673

IUPAC4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
SMILESCOc1cccc(C(c2ccnc(N)n2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C22H20N6O/c1-29-19-8-2-7-17(27-19)21(18-9-12-26-22(23)28-18)20(15-5-3-10-24-13-15)16-6-4-11-25-14-16/h2-14,20-21H,1H3,(H2,23,26,28)
InChIKeyHHBSPYDCNOWWGV-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.22
Rot. Bonds6

About 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine

4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine (PubChem CID 11696673) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
PubChem CID11696673
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
SMILESCOc1cccc(C(c2ccnc(N)n2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C22H20N6O/c1-29-19-8-2-7-17(27-19)21(18-9-12-26-22(23)28-18)20(15-5-3-10-24-13-15)16-6-4-11-25-14-16/h2-14,20-21H,1H3,(H2,23,26,28)
InChIKeyHHBSPYDCNOWWGV-UHFFFAOYSA-N
XLogP3.22
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine (CID 11696673) is 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine is COc1cccc(C(c2ccnc(N)n2)C(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The InChIKey is HHBSPYDCNOWWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-29-19-8-2-7-17(27-19)21(18-9-12-26-22(23)28-18)20(15-5-3-10-24-13-15)16-6-4-11-25-14-16/h2-14,20-21H,1H3,(H2,23,26,28).
What are the key properties of 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine has a molecular weight of 384.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 11696673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).