4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

C20H21N5O — CID 97456778

IUPAC4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESc1ccc(CO[C@H]2CCCN(c3nccc(-c4ccccn4)n3)C2)nc1
InChIInChI=1S/C20H21N5O/c1-3-10-21-16(6-1)15-26-17-7-5-13-25(14-17)20-23-12-9-19(24-20)18-8-2-4-11-22-18/h1-4,6,8-12,17H,5,7,13-15H2/t17-/m0/s1
InChIKeyABPSVHYBGVSGAL-KRWDZBQOSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds5

About 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine (PubChem CID 97456778) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
PubChem CID97456778
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESc1ccc(CO[C@H]2CCCN(c3nccc(-c4ccccn4)n3)C2)nc1
InChIInChI=1S/C20H21N5O/c1-3-10-21-16(6-1)15-26-17-7-5-13-25(14-17)20-23-12-9-19(24-20)18-8-2-4-11-22-18/h1-4,6,8-12,17H,5,7,13-15H2/t17-/m0/s1
InChIKeyABPSVHYBGVSGAL-KRWDZBQOSA-N
XLogP3.12
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 134704475
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146039643
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
CID 125167692
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42101463
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine (CID 97456778) is 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine is c1ccc(CO[C@H]2CCCN(c3nccc(-c4ccccn4)n3)C2)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The InChIKey is ABPSVHYBGVSGAL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-10-21-16(6-1)15-26-17-7-5-13-25(14-17)20-23-12-9-19(24-20)18-8-2-4-11-22-18/h1-4,6,8-12,17H,5,7,13-15H2/t17-/m0/s1.
What are the key properties of 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine has a molecular weight of 347.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97456778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).