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

C22H20N6O — CID 67011586

IUPAC4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
SMILESCOc1ccc(C(Cc2ccnc(N)n2)(c2cccnc2)c2cccnc2)cn1
InChIInChI=1S/C22H20N6O/c1-29-20-7-6-18(15-27-20)22(16-4-2-9-24-13-16,17-5-3-10-25-14-17)12-19-8-11-26-21(23)28-19/h2-11,13-15H,12H2,1H3,(H2,23,26,28)
InChIKeyUFUVHYJBMASBOX-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.83
Rot. Bonds6

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

4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine (PubChem CID 67011586) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
PubChem CID67011586
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
SMILESCOc1ccc(C(Cc2ccnc(N)n2)(c2cccnc2)c2cccnc2)cn1
InChIInChI=1S/C22H20N6O/c1-29-20-7-6-18(15-27-20)22(16-4-2-9-24-13-16,17-5-3-10-25-14-17)12-19-8-11-26-21(23)28-19/h2-11,13-15H,12H2,1H3,(H2,23,26,28)
InChIKeyUFUVHYJBMASBOX-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine (CID 67011586) is 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine is COc1ccc(C(Cc2ccnc(N)n2)(c2cccnc2)c2cccnc2)cn1.
What is the InChIKey of 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The InChIKey is UFUVHYJBMASBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-29-20-7-6-18(15-27-20)22(16-4-2-9-24-13-16,17-5-3-10-25-14-17)12-19-8-11-26-21(23)28-19/h2-11,13-15H,12H2,1H3,(H2,23,26,28).
What are the key properties of 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine has a molecular weight of 384.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 67011586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).