4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol

C20H24N6O — CID 155204644

IUPAC4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
SMILESCc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(O)cc1
InChIInChI=1S/C20H24N6O/c1-14-11-21-20(24-19(14)15-3-5-18(27)6-4-15)23-16-12-22-26(13-16)17-7-9-25(2)10-8-17/h3-6,11-13,17,27H,7-10H2,1-2H3,(H,21,23,24)
InChIKeyLABDKDPDMJQVAZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.36
Rot. Bonds4

About 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol

4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol (PubChem CID 155204644) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
PubChem CID155204644
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
SMILESCc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(O)cc1
InChIInChI=1S/C20H24N6O/c1-14-11-21-20(24-19(14)15-3-5-18(27)6-4-15)23-16-12-22-26(13-16)17-7-9-25(2)10-8-17/h3-6,11-13,17,27H,7-10H2,1-2H3,(H,21,23,24)
InChIKeyLABDKDPDMJQVAZ-UHFFFAOYSA-N
XLogP3.36
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol (CID 155204644) is 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol is Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol?
The InChIKey is LABDKDPDMJQVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-11-21-20(24-19(14)15-3-5-18(27)6-4-15)23-16-12-22-26(13-16)17-7-9-25(2)10-8-17/h3-6,11-13,17,27H,7-10H2,1-2H3,(H,21,23,24).
What are the key properties of 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol?
4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol has a molecular weight of 364.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 155204644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).