[3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C23H25N5O — CID 86342001

IUPAC[3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1
InChIInChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)27-22-14-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
InChIKeyMVRFKJDYYPKRFL-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.25
Rot. Bonds4

About [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 86342001) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID86342001
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1
InChIInChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)27-22-14-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
InChIKeyMVRFKJDYYPKRFL-UHFFFAOYSA-N
XLogP4.25
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 86342001) is [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is Cc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1.
What is the InChIKey of [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is MVRFKJDYYPKRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)27-22-14-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27).
What are the key properties of [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 387.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 86342001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).