[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C20H25FN4O — CID 109330682

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(NCCc2ccccc2F)n1
InChIInChI=1S/C20H25FN4O/c1-14-6-5-11-25(13-14)19(26)18-12-15(2)23-20(24-18)22-10-9-16-7-3-4-8-17(16)21/h3-4,7-8,12,14H,5-6,9-11,13H2,1-2H3,(H,22,23,24)
InChIKeyGCTNGGJUVDEZPD-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.45
Rot. Bonds5

About [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109330682) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109330682
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(NCCc2ccccc2F)n1
InChIInChI=1S/C20H25FN4O/c1-14-6-5-11-25(13-14)19(26)18-12-15(2)23-20(24-18)22-10-9-16-7-3-4-8-17(16)21/h3-4,7-8,12,14H,5-6,9-11,13H2,1-2H3,(H,22,23,24)
InChIKeyGCTNGGJUVDEZPD-UHFFFAOYSA-N
XLogP3.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324383
[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323130
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109330133
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329891
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334050
[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334052
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334024
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328111
[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109348047
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327468
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109330682) is [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(C)C2)nc(NCCc2ccccc2F)n1.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is GCTNGGJUVDEZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-6-5-11-25(13-14)19(26)18-12-15(2)23-20(24-18)22-10-9-16-7-3-4-8-17(16)21/h3-4,7-8,12,14H,5-6,9-11,13H2,1-2H3,(H,22,23,24).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 356.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109330682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).