4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine

C16H20N4O2 — CID 178092331

IUPAC4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine
SMILESCCOc1cccc(-c2cc(N3CCCC3)nc(OC)n2)n1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-8-6-7-12(17-15)13-11-14(19-16(18-13)21-2)20-9-4-5-10-20/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyTVNPJHHJXQAEJF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.55
Rot. Bonds5

About 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine

4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine (PubChem CID 178092331) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine
PubChem CID178092331
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine
SMILESCCOc1cccc(-c2cc(N3CCCC3)nc(OC)n2)n1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-8-6-7-12(17-15)13-11-14(19-16(18-13)21-2)20-9-4-5-10-20/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyTVNPJHHJXQAEJF-UHFFFAOYSA-N
XLogP2.55
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
CID 178092241
2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 58336216
4-[2-[3,5-bis[2-[2,6-bis(6-ethoxy-2-pyridinyl)-4-pyridinyl]ethynyl]phenyl]ethynyl]-2,6-bis(6-ethoxy-2-pyridinyl)pyridine
CID 122226842
methyl (2S)-1-[2-(3,3-difluoroazetidin-1-yl)-6-(6-ethoxy-2-pyridinyl)pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 178091925
2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine
CID 168513130
2-ethoxy-6-phenylpyridine
CID 58166184
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
4-ethenyl-2-methoxy-6-piperidin-1-ylpyrimidine
CID 15869495
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
CID 106838569
(4R)-1-(2,6-dimethoxypyrimidin-4-yl)-4-pyrrolidin-1-ylazepane
CID 143453292

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine (CID 178092331) is 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine is CCOc1cccc(-c2cc(N3CCCC3)nc(OC)n2)n1.
What is the InChIKey of 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is TVNPJHHJXQAEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-15-8-6-7-12(17-15)13-11-14(19-16(18-13)21-2)20-9-4-5-10-20/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine?
4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 300.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-2-pyridinyl)-2-methoxy-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 178092331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).