[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H24FN5O — CID 109340634

IUPAC[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C19H24FN5O/c1-3-14(2)23-18-12-16(21-13-22-18)19(26)25-10-8-24(9-11-25)17-7-5-4-6-15(17)20/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,22,23)
InChIKeyKXWPOWDCRRMDJG-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.79
Rot. Bonds5

About [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109340634) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109340634
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C19H24FN5O/c1-3-14(2)23-18-12-16(21-13-22-18)19(26)25-10-8-24(9-11-25)17-7-5-4-6-15(17)20/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,22,23)
InChIKeyKXWPOWDCRRMDJG-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-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]-[6-(pentylamino)pyrimidin-4-yl]methanone
CID 109353033
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109340625
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
(4-ethylpiperazin-1-yl)-[6-(2-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345485
[4-(2-fluorophenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319319
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109362356
1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109338654
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109340634) is [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCC(C)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncn1.
What is the InChIKey of [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is KXWPOWDCRRMDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-3-14(2)23-18-12-16(21-13-22-18)19(26)25-10-8-24(9-11-25)17-7-5-4-6-15(17)20/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,22,23).
What are the key properties of [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109340634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).