1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione

C16H17F4N3O2 — CID 18717219

IUPAC1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione
SMILESCc1cc(C)c(-n2c(=O)cc(C(F)(F)C(C)(F)F)n(C)c2=O)nc1C
InChIInChI=1S/C16H17F4N3O2/c1-8-6-9(2)13(21-10(8)3)23-12(24)7-11(22(5)14(23)25)16(19,20)15(4,17)18/h6-7H,1-5H3
InChIKeyNFGHZADUSDPTFU-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.60
Rot. Bonds3

About 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione

1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione (PubChem CID 18717219) has the molecular formula C16H17F4N3O2 and a molecular weight of 359.32 g/mol. Its IUPAC name is 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione
PubChem CID18717219
Molecular FormulaC16H17F4N3O2
Molecular Weight359.32 g/mol
Exact Mass359.13
IUPAC Name1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione
SMILESCc1cc(C)c(-n2c(=O)cc(C(F)(F)C(C)(F)F)n(C)c2=O)nc1C
InChIInChI=1S/C16H17F4N3O2/c1-8-6-9(2)13(21-10(8)3)23-12(24)7-11(22(5)14(23)25)16(19,20)15(4,17)18/h6-7H,1-5H3
InChIKeyNFGHZADUSDPTFU-UHFFFAOYSA-N
XLogP2.60
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione (CID 18717219) is 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione is Cc1cc(C)c(-n2c(=O)cc(C(F)(F)C(C)(F)F)n(C)c2=O)nc1C.
What is the InChIKey of 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione?
The InChIKey is NFGHZADUSDPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O2/c1-8-6-9(2)13(21-10(8)3)23-12(24)7-11(22(5)14(23)25)16(19,20)15(4,17)18/h6-7H,1-5H3.
What are the key properties of 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione?
1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione has a molecular weight of 359.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1,1,2,2-tetrafluoropropyl)-3-(3,5,6-trimethyl-2-pyridinyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18717219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).