[1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol

C21H23N5O — CID 91800579

IUPAC[1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1cc(-c2ccccn2)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H23N5O/c27-15-17-10-5-7-13-26(17)20-14-19(18-11-4-6-12-22-18)24-21(25-20)23-16-8-2-1-3-9-16/h1-4,6,8-9,11-12,14,17,27H,5,7,10,13,15H2,(H,23,24,25)
InChIKeyAQSAUJOSPVHKGC-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.63
Rot. Bonds5

About [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol

[1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol (PubChem CID 91800579) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol
PubChem CID91800579
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1cc(-c2ccccn2)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H23N5O/c27-15-17-10-5-7-13-26(17)20-14-19(18-11-4-6-12-22-18)24-21(25-20)23-16-8-2-1-3-9-16/h1-4,6,8-9,11-12,14,17,27H,5,7,10,13,15H2,(H,23,24,25)
InChIKeyAQSAUJOSPVHKGC-UHFFFAOYSA-N
XLogP3.63
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol (CID 91800579) is [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol is OCC1CCCCN1c1cc(-c2ccccn2)nc(Nc2ccccc2)n1.
What is the InChIKey of [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol?
The InChIKey is AQSAUJOSPVHKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-15-17-10-5-7-13-26(17)20-14-19(18-11-4-6-12-22-18)24-21(25-20)23-16-8-2-1-3-9-16/h1-4,6,8-9,11-12,14,17,27H,5,7,10,13,15H2,(H,23,24,25).
What are the key properties of [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol?
[1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol has a molecular weight of 361.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 91800579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).