3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione

C10H14F2N2O2 — CID 177129735

IUPAC3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(C(F)F)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H14F2N2O2/c1-10(2,3)14-7(15)5-6(8(11)12)13(4)9(14)16/h5,8H,1-4H3
InChIKeyJDBWLCJXKYSIGY-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.24
Rot. Bonds1

About 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione

3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 177129735) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione
PubChem CID177129735
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(C(F)F)cc(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H14F2N2O2/c1-10(2,3)14-7(15)5-6(8(11)12)13(4)9(14)16/h5,8H,1-4H3
InChIKeyJDBWLCJXKYSIGY-UHFFFAOYSA-N
XLogP1.24
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-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

1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione
CID 26075
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
1,6-Dimethyl-3-ethyluracil
CID 21627127
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472056
1,3-Diethyl-6-methyluracil
CID 12357931
2,4(1H,3H)-Pyrimidinedione, 6-methyl-3-(1-methylpropyl)-, sodium salt (1:1)
CID 13613053
2,4(1H,3H)-Pyrimidinedione, 3-(1,1-dimethylethyl)-6-methyl-, sodium salt (1:1)
CID 23695309
3-allyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472057
1,3-Dimethyl-6-(trifluoromethyl)uracil
CID 2758669
1-Methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11172400
3-isopropyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 11206812
1-Propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 17778451

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione (CID 177129735) is 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione is Cn1c(C(F)F)cc(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is JDBWLCJXKYSIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-10(2,3)14-7(15)5-6(8(11)12)13(4)9(14)16/h5,8H,1-4H3.
What are the key properties of 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione?
3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 232.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(difluoromethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 177129735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).