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

C15H21ClF3N5O — CID 120812848

IUPAC2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H20F3N5O.ClH/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);1H
InChIKeyJHDZLDGJQBHGLA-UHFFFAOYSA-N
MW379.81 g/mol
LogP1.34
Rot. Bonds5

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

2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride (PubChem CID 120812848) has the molecular formula C15H21ClF3N5O and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride
PubChem CID120812848
Molecular FormulaC15H21ClF3N5O
Molecular Weight379.81 g/mol
Exact Mass379.14
IUPAC Name2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H20F3N5O.ClH/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);1H
InChIKeyJHDZLDGJQBHGLA-UHFFFAOYSA-N
XLogP1.34
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 51.34
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;hydrochloride?
The IUPAC name of 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride (CID 120812848) is 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is JHDZLDGJQBHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O.ClH/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);1H.
What are the key properties of 2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride?
2-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrimidine-4-carboxamide;hydrochloride has a molecular weight of 379.81 g/mol, XLogP of 1.34, 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;hydrochloride is sourced from PubChem (CID 120812848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).