6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione

C14H19F3N4O3 — CID 27224254

IUPAC6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O
InChIInChI=1S/C14H19F3N4O3/c1-19-11(18)10(12(23)20(2)13(19)24)9(22)7-21-5-3-4-8(6-21)14(15,16)17/h8H,3-7,18H2,1-2H3/t8-/m1/s1
InChIKeyKKZFCTYTWREVHO-MRVPVSSYSA-N
MW348.33 g/mol
LogP0.12
Rot. Bonds3

About 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione (PubChem CID 27224254) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
PubChem CID27224254
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Name6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O
InChIInChI=1S/C14H19F3N4O3/c1-19-11(18)10(12(23)20(2)13(19)24)9(22)7-21-5-3-4-8(6-21)14(15,16)17/h8H,3-7,18H2,1-2H3/t8-/m1/s1
InChIKeyKKZFCTYTWREVHO-MRVPVSSYSA-N
XLogP0.12
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-Amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 4851012
6-Amino-1-propyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 17561138
6-amino-1-(2-methoxyethyl)-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25639162
6-amino-1-(2-methoxyethyl)-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25639164
6-amino-1-propyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25941654
6-amino-1-propyl-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25941656
6-amino-1,3-dimethyl-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 27224256
1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35168151
6-Amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 42927085
6-Amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 45794312
6-Amino-1-ethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 45795878
6-Amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]pyrimidine-2,4-dione
CID 46801608

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione (CID 27224254) is 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The InChIKey is KKZFCTYTWREVHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-19-11(18)10(12(23)20(2)13(19)24)9(22)7-21-5-3-4-8(6-21)14(15,16)17/h8H,3-7,18H2,1-2H3/t8-/m1/s1.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione has a molecular weight of 348.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 27224254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).