[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H24N4O2 — CID 109364360

IUPAC[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc(C)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-8-10-23(11-9-13)19(24)17-12-18(21-14(2)20-17)22-15-4-6-16(25-3)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyYXGAHGVQHWNILY-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.41
Rot. Bonds4

About [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109364360) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109364360
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc(C)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-8-10-23(11-9-13)19(24)17-12-18(21-14(2)20-17)22-15-4-6-16(25-3)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyYXGAHGVQHWNILY-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109364378
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367110
[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364363
[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109363064
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364250
[6-(4-bromoanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847420
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847398
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53002745

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109364360) is [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc(C)n2)cc1.
What is the InChIKey of [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YXGAHGVQHWNILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-8-10-23(11-9-13)19(24)17-12-18(21-14(2)20-17)22-15-4-6-16(25-3)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22).
What are the key properties of [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109364360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).