1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione

C11H15F3N2O2 — CID 86294581

IUPAC1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1cc(C(F)(F)F)c(=O)n(CCC)c1=O
InChIInChI=1S/C11H15F3N2O2/c1-3-5-15-7-8(11(12,13)14)9(17)16(6-4-2)10(15)18/h7H,3-6H2,1-2H3
InChIKeyBPAKBTKRJWIZTD-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.85
Rot. Bonds4

About 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione

1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 86294581) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID86294581
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1cc(C(F)(F)F)c(=O)n(CCC)c1=O
InChIInChI=1S/C11H15F3N2O2/c1-3-5-15-7-8(11(12,13)14)9(17)16(6-4-2)10(15)18/h7H,3-6H2,1-2H3
InChIKeyBPAKBTKRJWIZTD-UHFFFAOYSA-N
XLogP1.85
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dimethylthymine
CID 78112
N(1),N(3)-Diallylthymine
CID 748590
1-Allyl-5-fluoro-3-isobutyl-2,4(1H,3H)-pyrimidinedione
CID 598584
1,3-Diacetyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 10262657
5-fluoro-1,3-diisobutyl-2,4(1H,3H)-pyrimidinedione
CID 748595
1,3-Dimethyl-5-trifluoromethyluracil
CID 11333246
1-Methyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 13004982
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950
1,3-Diethylthymine
CID 21786689
2,4(1H,3H)-Pyrimidinedione, 1,3-dibutyl-5-fluoro-
CID 546412
6-Fluoro-1,3,5-trimethylpyrimidine-2,4(1H,3H)-dione
CID 22832100
1,3-Dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
CID 125479656

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 86294581) is 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione is CCCn1cc(C(F)(F)F)c(=O)n(CCC)c1=O.
What is the InChIKey of 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is BPAKBTKRJWIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-3-5-15-7-8(11(12,13)14)9(17)16(6-4-2)10(15)18/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 264.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 86294581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).