1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione

C10H7F9N2O2 — CID 164681703

IUPAC1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H7F9N2O2/c1-20-3-4(5(22)21(2)6(20)23)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3
InChIKeyKDLACOWIZSXROD-UHFFFAOYSA-N
MW358.16 g/mol
LogP2.01
Rot. Bonds3

About 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione (PubChem CID 164681703) has the molecular formula C10H7F9N2O2 and a molecular weight of 358.16 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione
PubChem CID164681703
Molecular FormulaC10H7F9N2O2
Molecular Weight358.16 g/mol
Exact Mass358.04
IUPAC Name1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H7F9N2O2/c1-20-3-4(5(22)21(2)6(20)23)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3
InChIKeyKDLACOWIZSXROD-UHFFFAOYSA-N
XLogP2.01
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Heptafluoropropyluracil
CID 595149
5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrimidine-2,4-dione
CID 11131320
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950
Uracil, 5-tridecafluorohexyl-
CID 595148
1,3-Dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
CID 125479656
3-Methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 164681704
5-Butyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 13897053
2,4(1H,3H)-Pyrimidinedione, 5-(2,3,3,3-tetrafluoropropyl)-
CID 310060
5-(2,2,3,3,3-pentafluoropropyl)-1H-pyrimidine-2,4-dione
CID 310063
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 12276977
1-Methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione
CID 170517792
Ethane;1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione
CID 178169158

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione (CID 164681703) is 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione is Cn1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione?
The InChIKey is KDLACOWIZSXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9N2O2/c1-20-3-4(5(22)21(2)6(20)23)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3.
What are the key properties of 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione has a molecular weight of 358.16 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 164681703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).