2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide

C10H12F3N5O — CID 140942770

IUPAC2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)6-3-16-8(17-4-6)7-5-15-1-2-18(7)9(14)19/h3-4,7,15H,1-2,5H2,(H2,14,19)
InChIKeyKMNOJUCGWBKOQM-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.52
Rot. Bonds1

About 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide

2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide (PubChem CID 140942770) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
PubChem CID140942770
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)6-3-16-8(17-4-6)7-5-15-1-2-18(7)9(14)19/h3-4,7,15H,1-2,5H2,(H2,14,19)
InChIKeyKMNOJUCGWBKOQM-UHFFFAOYSA-N
XLogP0.52
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The IUPAC name of 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide (CID 140942770) is 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide is NC(=O)N1CCNCC1c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The InChIKey is KMNOJUCGWBKOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c11-10(12,13)6-3-16-8(17-4-6)7-5-15-1-2-18(7)9(14)19/h3-4,7,15H,1-2,5H2,(H2,14,19).
What are the key properties of 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 140942770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).