2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C17H16F3N5O2 — CID 109254563

IUPAC2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=CN1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)13-1-3-14(4-2-13)23-15(27)12-9-21-16(22-10-12)25-7-5-24(11-26)6-8-25/h1-4,9-11H,5-8H2,(H,23,27)
InChIKeyCVRJANDWMOUFAW-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.03
Rot. Bonds4

About 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109254563) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID109254563
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=CN1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)13-1-3-14(4-2-13)23-15(27)12-9-21-16(22-10-12)25-7-5-24(11-26)6-8-25/h1-4,9-11H,5-8H2,(H,23,27)
InChIKeyCVRJANDWMOUFAW-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109278987
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
2-(4-formylpiperazin-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109254513
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
2-(4-formylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109254470
N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168959
N-[(4-fluorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254461

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 109254563) is 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is O=CN1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is CVRJANDWMOUFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)13-1-3-14(4-2-13)23-15(27)12-9-21-16(22-10-12)25-7-5-24(11-26)6-8-25/h1-4,9-11H,5-8H2,(H,23,27).
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109254563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).