[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

C19H24FN5O2 — CID 74240927

IUPAC[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H24FN5O2/c1-21-19-22-13-15(14-23-19)18(26)25-10-8-24(9-11-25)7-2-12-27-17-5-3-16(20)4-6-17/h3-6,13-14H,2,7-12H2,1H3,(H,21,22,23)
InChIKeyBLCGKVQDMPBCRT-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.88
Rot. Bonds7

About [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (PubChem CID 74240927) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
PubChem CID74240927
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H24FN5O2/c1-21-19-22-13-15(14-23-19)18(26)25-10-8-24(9-11-25)7-2-12-27-17-5-3-16(20)4-6-17/h3-6,13-14H,2,7-12H2,1H3,(H,21,22,23)
InChIKeyBLCGKVQDMPBCRT-UHFFFAOYSA-N
XLogP1.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-ethyl-5-methylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
CID 74248574
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
CID 142171815
1-[4-[2-[(4-fluorophenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254612
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 46978998
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 31112745
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 72900903
(3-fluorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638138

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (CID 74240927) is [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is CNc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The InChIKey is BLCGKVQDMPBCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-21-19-22-13-15(14-23-19)18(26)25-10-8-24(9-11-25)7-2-12-27-17-5-3-16(20)4-6-17/h3-6,13-14H,2,7-12H2,1H3,(H,21,22,23).
What are the key properties of [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 74240927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).