1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione

C10H12F4N2O2 — CID 112741476

IUPAC1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C10H12F4N2O2/c1-2-4-15-5-3-7(17)16(9(15)18)6-10(13,14)8(11)12/h3,5,8H,2,4,6H2,1H3
InChIKeyWKCBOCQIDQKVOR-UHFFFAOYSA-N
MW268.21 g/mol
LogP1.32
Rot. Bonds5

About 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione

1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (PubChem CID 112741476) has the molecular formula C10H12F4N2O2 and a molecular weight of 268.21 g/mol. Its IUPAC name is 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
PubChem CID112741476
Molecular FormulaC10H12F4N2O2
Molecular Weight268.21 g/mol
Exact Mass268.08
IUPAC Name1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C10H12F4N2O2/c1-2-4-15-5-3-7(17)16(9(15)18)6-10(13,14)8(11)12/h3,5,8H,2,4,6H2,1H3
InChIKeyWKCBOCQIDQKVOR-UHFFFAOYSA-N
XLogP1.32
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyluracil
CID 70122
N(1),N(3)-Diallyluracil
CID 165554
1,3-diisobutylpyrimidine-2,4(1H,3H)-dione
CID 2883573
1-Allyl-5-fluoro-3-isobutyl-2,4(1H,3H)-pyrimidinedione
CID 598584
1,3-diallyl-5-fluoro-2,4(1H,3H)-pyrimidinedione
CID 698957
1,3-Diethenyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 13700369
1,3-Diethenylpyrimidine-2,4(1H,3H)-dione
CID 13556160
2,4(1H,3H)-Pyrimidinedione, 1,3-dibutyl-5-fluoro-
CID 546412
1,3-Diethylpyrimidine-2,4(1H,3H)-dione
CID 12357930
1,3-Dipropylpyrimidine-2,4(1H,3H)-dione
CID 12357933
1,3-Dibutylpyrimidine-2,4(1H,3H)-dione
CID 71363686
Propyle-thio-uracile
CID 129691335

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (CID 112741476) is 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is CCCn1ccc(=O)n(CC(F)(F)C(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The InChIKey is WKCBOCQIDQKVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2/c1-2-4-15-5-3-7(17)16(9(15)18)6-10(13,14)8(11)12/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione has a molecular weight of 268.21 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112741476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).