4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine

C22H25N5O — CID 167978786

IUPAC4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccnc(N(C)C2CCNCC2)n1
InChIInChI=1S/C22H25N5O/c1-27(18-7-12-24-13-8-18)22-25-14-9-20(26-22)19-15-17(3-4-21(19)28-2)16-5-10-23-11-6-16/h3-6,9-11,14-15,18,24H,7-8,12-13H2,1-2H3
InChIKeyQJPPLWQGIFQDTD-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.40
Rot. Bonds5

About 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine

4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 167978786) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID167978786
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccnc(N(C)C2CCNCC2)n1
InChIInChI=1S/C22H25N5O/c1-27(18-7-12-24-13-8-18)22-25-14-9-20(26-22)19-15-17(3-4-21(19)28-2)16-5-10-23-11-6-16/h3-6,9-11,14-15,18,24H,7-8,12-13H2,1-2H3
InChIKeyQJPPLWQGIFQDTD-UHFFFAOYSA-N
XLogP3.40
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine (CID 167978786) is 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine is COc1ccc(-c2ccncc2)cc1-c1ccnc(N(C)C2CCNCC2)n1.
What is the InChIKey of 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is QJPPLWQGIFQDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-27(18-7-12-24-13-8-18)22-25-14-9-20(26-22)19-15-17(3-4-21(19)28-2)16-5-10-23-11-6-16/h3-6,9-11,14-15,18,24H,7-8,12-13H2,1-2H3.
What are the key properties of 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine?
4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-pyridin-4-ylphenyl)-N-methyl-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 167978786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).