[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

C19H25N5O — CID 109261104

IUPAC[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H25N5O/c1-3-22(4-2)19-20-14-16(15-21-19)18(25)24-12-10-23(11-13-24)17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyCRUMTOSBQYGNQI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.29
Rot. Bonds5

About [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109261104) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109261104
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H25N5O/c1-3-22(4-2)19-20-14-16(15-21-19)18(25)24-12-10-23(11-13-24)17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyCRUMTOSBQYGNQI-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
(4-phenylpiperazin-1-yl)-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 91952840
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109261104) is [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is CCN(CC)c1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is CRUMTOSBQYGNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-22(4-2)19-20-14-16(15-21-19)18(25)24-12-10-23(11-13-24)17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13H2,1-2H3.
What are the key properties of [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109261104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).