1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol

C21H23N5O — CID 91800580

IUPAC1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol
SMILESCc1ccc(Nc2nc(-c3ccccn3)cc(N3CCCC(O)C3)n2)cc1
InChIInChI=1S/C21H23N5O/c1-15-7-9-16(10-8-15)23-21-24-19(18-6-2-3-11-22-18)13-20(25-21)26-12-4-5-17(27)14-26/h2-3,6-11,13,17,27H,4-5,12,14H2,1H3,(H,23,24,25)
InChIKeyWZMYLPAUUZGUBC-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol

1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol (PubChem CID 91800580) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol
PubChem CID91800580
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol
SMILESCc1ccc(Nc2nc(-c3ccccn3)cc(N3CCCC(O)C3)n2)cc1
InChIInChI=1S/C21H23N5O/c1-15-7-9-16(10-8-15)23-21-24-19(18-6-2-3-11-22-18)13-20(25-21)26-12-4-5-17(27)14-26/h2-3,6-11,13,17,27H,4-5,12,14H2,1H3,(H,23,24,25)
InChIKeyWZMYLPAUUZGUBC-UHFFFAOYSA-N
XLogP3.55
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol (CID 91800580) is 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol is Cc1ccc(Nc2nc(-c3ccccn3)cc(N3CCCC(O)C3)n2)cc1.
What is the InChIKey of 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol?
The InChIKey is WZMYLPAUUZGUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-7-9-16(10-8-15)23-21-24-19(18-6-2-3-11-22-18)13-20(25-21)26-12-4-5-17(27)14-26/h2-3,6-11,13,17,27H,4-5,12,14H2,1H3,(H,23,24,25).
What are the key properties of 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol?
1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol has a molecular weight of 361.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 91800580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).