[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

C17H19FN4O — CID 109341642

IUPAC[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NCc2ccc(F)cc2)ncn1)N1CCCCC1
InChIInChI=1S/C17H19FN4O/c18-14-6-4-13(5-7-14)11-19-16-10-15(20-12-21-16)17(23)22-8-2-1-3-9-22/h4-7,10,12H,1-3,8-9,11H2,(H,19,20,21)
InChIKeyMPRAHTFXJIMNNX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.85
Rot. Bonds4

About [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341642) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341642
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NCc2ccc(F)cc2)ncn1)N1CCCCC1
InChIInChI=1S/C17H19FN4O/c18-14-6-4-13(5-7-14)11-19-16-10-15(20-12-21-16)17(23)22-8-2-1-3-9-22/h4-7,10,12H,1-3,8-9,11H2,(H,19,20,21)
InChIKeyMPRAHTFXJIMNNX-UHFFFAOYSA-N
XLogP2.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341697
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563

Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341642) is [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(NCc2ccc(F)cc2)ncn1)N1CCCCC1.
What is the InChIKey of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MPRAHTFXJIMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-6-4-13(5-7-14)11-19-16-10-15(20-12-21-16)17(23)22-8-2-1-3-9-22/h4-7,10,12H,1-3,8-9,11H2,(H,19,20,21).
What are the key properties of [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 314.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).