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

C15H22F3N5O2 — CID 137161911

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H22F3N5O2/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)
InChIKeyMLICFTOGCUJUCN-UHFFFAOYSA-N
MW361.37 g/mol
LogP-0.12
Rot. Bonds5

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

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 137161911) has the molecular formula C15H22F3N5O2 and a molecular weight of 361.37 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.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID137161911
Molecular FormulaC15H22F3N5O2
Molecular Weight361.37 g/mol
Exact Mass361.17
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H22F3N5O2/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)
InChIKeyMLICFTOGCUJUCN-UHFFFAOYSA-N
XLogP-0.12
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 135896960
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
7-Acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796538
N-(1-cycloheptyl-3-piperidinyl)-2-(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 136102800
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135931992
2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidin-4-OL
CID 135610100
tert-butyl N-[2-[4-oxo-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate
CID 135865886
7-Propyl-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866006
7-Ethyl-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866026
7-Butyl-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866046
7-(2-Methylpropyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866146
tert-butyl N-[1-[4-oxo-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]propan-2-yl]carbamate
CID 135920212

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?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 137161911) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
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?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is Cc1nc(C)c(CC(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.
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?
The InChIKey is MLICFTOGCUJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O2/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).
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?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 361.37 g/mol, XLogP of -0.12, 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 is sourced from PubChem (CID 137161911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).