(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone

C23H24N4O2 — CID 109355229

IUPAC(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(Nc3ccccc3Oc3ccccc3)ncn2)C1
InChIInChI=1S/C23H24N4O2/c1-17-8-7-13-27(15-17)23(28)20-14-22(25-16-24-20)26-19-11-5-6-12-21(19)29-18-9-3-2-4-10-18/h2-6,9-12,14,16-17H,7-8,13,15H2,1H3,(H,24,25,26)
InChIKeyMZWJNTVRLMGTCD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.88
Rot. Bonds5

About (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone (PubChem CID 109355229) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone
PubChem CID109355229
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(Nc3ccccc3Oc3ccccc3)ncn2)C1
InChIInChI=1S/C23H24N4O2/c1-17-8-7-13-27(15-17)23(28)20-14-22(25-16-24-20)26-19-11-5-6-12-21(19)29-18-9-3-2-4-10-18/h2-6,9-12,14,16-17H,7-8,13,15H2,1H3,(H,24,25,26)
InChIKeyMZWJNTVRLMGTCD-UHFFFAOYSA-N
XLogP4.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
methyl 3-[[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109355205
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298
methyl 2-[[6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109342450
[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109348047
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354186
(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170
2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109140472
azepan-1-yl-[6-(2-bromoanilino)pyrimidin-4-yl]methanone
CID 109355664
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone (CID 109355229) is (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone is CC1CCCN(C(=O)c2cc(Nc3ccccc3Oc3ccccc3)ncn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone?
The InChIKey is MZWJNTVRLMGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-8-7-13-27(15-17)23(28)20-14-22(25-16-24-20)26-19-11-5-6-12-21(19)29-18-9-3-2-4-10-18/h2-6,9-12,14,16-17H,7-8,13,15H2,1H3,(H,24,25,26).
What are the key properties of (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109355229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).