5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine

C21H22N4O — CID 90058268

IUPAC5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine
SMILESCOc1cccc(-c2cnc(-c3ccncc3)nc2C2CCNCC2)c1
InChIInChI=1S/C21H22N4O/c1-26-18-4-2-3-17(13-18)19-14-24-21(16-7-11-23-12-8-16)25-20(19)15-5-9-22-10-6-15/h2-4,7-8,11-15,22H,5-6,9-10H2,1H3
InChIKeyISNVUTLYXMSBNS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.68
Rot. Bonds4

About 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine

5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine (PubChem CID 90058268) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine
PubChem CID90058268
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine
SMILESCOc1cccc(-c2cnc(-c3ccncc3)nc2C2CCNCC2)c1
InChIInChI=1S/C21H22N4O/c1-26-18-4-2-3-17(13-18)19-14-24-21(16-7-11-23-12-8-16)25-20(19)15-5-9-22-10-6-15/h2-4,7-8,11-15,22H,5-6,9-10H2,1H3
InChIKeyISNVUTLYXMSBNS-UHFFFAOYSA-N
XLogP3.68
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine (CID 90058268) is 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine is COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCNCC2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is ISNVUTLYXMSBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-26-18-4-2-3-17(13-18)19-14-24-21(16-7-11-23-12-8-16)25-20(19)15-5-9-22-10-6-15/h2-4,7-8,11-15,22H,5-6,9-10H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine?
5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 346.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 90058268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).