2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide

C15H20F3N5O — CID 120812849

IUPAC2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)12(23-7-5-19-6-8-23)9-21-14(24)11-3-4-20-13(22-11)10-1-2-10/h3-4,10,12,19H,1-2,5-9H2,(H,21,24)
InChIKeyAQYLDGHNJSOIRW-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.92
Rot. Bonds5

About 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide

2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 120812849) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide
PubChem CID120812849
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)12(23-7-5-19-6-8-23)9-21-14(24)11-3-4-20-13(22-11)10-1-2-10/h3-4,10,12,19H,1-2,5-9H2,(H,21,24)
InChIKeyAQYLDGHNJSOIRW-UHFFFAOYSA-N
XLogP0.92
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide (CID 120812849) is 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is AQYLDGHNJSOIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c16-15(17,18)12(23-7-5-19-6-8-23)9-21-14(24)11-3-4-20-13(22-11)10-1-2-10/h3-4,10,12,19H,1-2,5-9H2,(H,21,24).
What are the key properties of 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide?
2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 120812849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).