2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

C15H23ClF3N5O2 — CID 137161910

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCc1nc(C)c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.Cl
InChIInChI=1S/C15H22F3N5O2.ClH/c1-9-11(14(25)22-10(2)21-9)7-13(24)20-8-12(15(16,17)18)23-5-3-19-4-6-23;/h12,19H,3-8H2,1-2H3,(H,20,24)(H,21,22,25);1H
InChIKeyBNQNGEMKJZWCKE-UHFFFAOYSA-N
MW397.83 g/mol
LogP0.30
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 137161910) has the molecular formula C15H23ClF3N5O2 and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID137161910
Molecular FormulaC15H23ClF3N5O2
Molecular Weight397.83 g/mol
Exact Mass397.15
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCc1nc(C)c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.Cl
InChIInChI=1S/C15H22F3N5O2.ClH/c1-9-11(14(25)22-10(2)21-9)7-13(24)20-8-12(15(16,17)18)23-5-3-19-4-6-23;/h12,19H,3-8H2,1-2H3,(H,20,24)(H,21,22,25);1H
InChIKeyBNQNGEMKJZWCKE-UHFFFAOYSA-N
XLogP0.30
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 137161910) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is Cc1nc(C)c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.Cl.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is BNQNGEMKJZWCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O2.ClH/c1-9-11(14(25)22-10(2)21-9)7-13(24)20-8-12(15(16,17)18)23-5-3-19-4-6-23;/h12,19H,3-8H2,1-2H3,(H,20,24)(H,21,22,25);1H.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 397.83 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 137161910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).