[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C21H25N5O — CID 109295584

IUPAC[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1ccnc(NC2CC2)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c27-20(19-10-11-22-21(24-19)23-18-8-9-18)26-15-13-25(14-16-26)12-4-7-17-5-2-1-3-6-17/h1-7,10-11,18H,8-9,12-16H2,(H,22,23,24)/b7-4+
InChIKeyMJWFSRXJTUEKMN-QPJJXVBHSA-N
MW363.46 g/mol
LogP2.52
Rot. Bonds6

About [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 109295584) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID109295584
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1ccnc(NC2CC2)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c27-20(19-10-11-22-21(24-19)23-18-8-9-18)26-15-13-25(14-16-26)12-4-7-17-5-2-1-3-6-17/h1-7,10-11,18H,8-9,12-16H2,(H,22,23,24)/b7-4+
InChIKeyMJWFSRXJTUEKMN-QPJJXVBHSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-(butylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109296370
(2-methylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55854973
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109300569
(5-amino-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854674
1,2-oxazol-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110693756
[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109223817
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625
(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 146074977
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 171148554
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 109295584) is [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(c1ccnc(NC2CC2)n1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is MJWFSRXJTUEKMN-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H25N5O/c27-20(19-10-11-22-21(24-19)23-18-8-9-18)26-15-13-25(14-16-26)12-4-7-17-5-2-1-3-6-17/h1-7,10-11,18H,8-9,12-16H2,(H,22,23,24)/b7-4+.
What are the key properties of [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109295584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).