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

C22H20N6O — CID 67012287

IUPAC4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
SMILESCOc1ncccc1C(Cc1ccnc(N)n1)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H20N6O/c1-29-20-19(7-4-11-26-20)22(16-5-2-9-24-14-16,17-6-3-10-25-15-17)13-18-8-12-27-21(23)28-18/h2-12,14-15H,13H2,1H3,(H2,23,27,28)
InChIKeyITHMZWNAVYUPTF-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.83
Rot. Bonds6

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

4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine (PubChem CID 67012287) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
PubChem CID67012287
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
SMILESCOc1ncccc1C(Cc1ccnc(N)n1)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H20N6O/c1-29-20-19(7-4-11-26-20)22(16-5-2-9-24-14-16,17-6-3-10-25-15-17)13-18-8-12-27-21(23)28-18/h2-12,14-15H,13H2,1H3,(H2,23,27,28)
InChIKeyITHMZWNAVYUPTF-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-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine (CID 67012287) is 4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine is COc1ncccc1C(Cc1ccnc(N)n1)(c1cccnc1)c1cccnc1.
What is the InChIKey of 4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
The InChIKey is ITHMZWNAVYUPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-29-20-19(7-4-11-26-20)22(16-5-2-9-24-14-16,17-6-3-10-25-15-17)13-18-8-12-27-21(23)28-18/h2-12,14-15H,13H2,1H3,(H2,23,27,28).
What are the key properties of 4-[2-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine?
4-[2-(2-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-(2-methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 67012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).