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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Related Compounds

6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
7-(4-Methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 2817025
4,5-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 3809552
4-(4-Methoxyphenyl)-6-(4-methylpiperazino)-2-(2-pyridinyl)-5-pyrimidinecarbonitrile
CID 3379226
N1-(7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10149633
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189
N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 14347071

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).