[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone

C19H22FN5O — CID 109361222

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
SMILESC=CCNc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C19H22FN5O/c1-3-8-21-18-13-16(22-14(2)23-18)19(26)25-11-9-24(10-12-25)17-7-5-4-6-15(17)20/h3-7,13H,1,8-12H2,2H3,(H,21,22,23)
InChIKeyHIJDAORZHKZUFP-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.48
Rot. Bonds5

About [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone (PubChem CID 109361222) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
PubChem CID109361222
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
SMILESC=CCNc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C19H22FN5O/c1-3-8-21-18-13-16(22-14(2)23-18)19(26)25-11-9-24(10-12-25)17-7-5-4-6-15(17)20/h3-7,13H,1,8-12H2,2H3,(H,21,22,23)
InChIKeyHIJDAORZHKZUFP-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202334
(4-benzylpiperidin-1-yl)-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361237
[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362934
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367307
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365036
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109361605
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413
[4-(2-fluorophenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319319
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(pentylamino)pyrimidin-4-yl]methanone
CID 109353033
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109340634

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone (CID 109361222) is [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone is C=CCNc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc(C)n1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone?
The InChIKey is HIJDAORZHKZUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-3-8-21-18-13-16(22-14(2)23-18)19(26)25-11-9-24(10-12-25)17-7-5-4-6-15(17)20/h3-7,13H,1,8-12H2,2H3,(H,21,22,23).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone has a molecular weight of 355.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109361222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).