[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C17H23N5O2 — CID 112855130

IUPAC[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)ncn1
InChIInChI=1S/C17H23N5O2/c1-2-3-6-18-15-12-16(20-13-19-15)21-7-9-22(10-8-21)17(23)14-5-4-11-24-14/h4-5,11-13H,2-3,6-10H2,1H3,(H,18,19,20)
InChIKeyQPSVSPCYVCEGQY-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.24
Rot. Bonds6

About [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 112855130) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID112855130
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)ncn1
InChIInChI=1S/C17H23N5O2/c1-2-3-6-18-15-12-16(20-13-19-15)21-7-9-22(10-8-21)17(23)14-5-4-11-24-14/h4-5,11-13H,2-3,6-10H2,1H3,(H,18,19,20)
InChIKeyQPSVSPCYVCEGQY-UHFFFAOYSA-N
XLogP2.24
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.24
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-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
ethyl 4-[6-(butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112855122
furan-2-yl-[4-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112863247
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345746
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932

Frequently Asked Questions

What is the IUPAC name of [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 112855130) is [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is CCCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)ncn1.
What is the InChIKey of [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QPSVSPCYVCEGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-3-6-18-15-12-16(20-13-19-15)21-7-9-22(10-8-21)17(23)14-5-4-11-24-14/h4-5,11-13H,2-3,6-10H2,1H3,(H,18,19,20).
What are the key properties of [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 112855130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).