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

C18H21FN4O — CID 109348047

IUPAC[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(NCc3ccccc3F)ncn2)C1
InChIInChI=1S/C18H21FN4O/c1-13-5-4-8-23(11-13)18(24)16-9-17(22-12-21-16)20-10-14-6-2-3-7-15(14)19/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3,(H,20,21,22)
InChIKeyCCQHDCDAIJJIMV-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.10
Rot. Bonds4

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

[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109348047) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109348047
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(NCc3ccccc3F)ncn2)C1
InChIInChI=1S/C18H21FN4O/c1-13-5-4-8-23(11-13)18(24)16-9-17(22-12-21-16)20-10-14-6-2-3-7-15(14)19/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3,(H,20,21,22)
InChIKeyCCQHDCDAIJJIMV-UHFFFAOYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354186
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109330682
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone
CID 109355229
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962425
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
methyl 3-[[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109355205
N-(2-fluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090390

Frequently Asked Questions

What is the IUPAC name of [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109348047) is [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(NCc3ccccc3F)ncn2)C1.
What is the InChIKey of [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is CCQHDCDAIJJIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-13-5-4-8-23(11-13)18(24)16-9-17(22-12-21-16)20-10-14-6-2-3-7-15(14)19/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3,(H,20,21,22).
What are the key properties of [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109348047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).