6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione

C14H14F3N3O3 — CID 2822766

IUPAC6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(N)n(-c2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H14F3N3O3/c1-2-7-19-12(21)8-11(18)20(13(19)22)9-3-5-10(6-4-9)23-14(15,16)17/h3-6,8H,2,7,18H2,1H3
InChIKeyBZXDLIDFOJFXDW-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.89
Rot. Bonds4

About 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione

6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione (PubChem CID 2822766) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione
PubChem CID2822766
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(N)n(-c2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H14F3N3O3/c1-2-7-19-12(21)8-11(18)20(13(19)22)9-3-5-10(6-4-9)23-14(15,16)17/h3-6,8H,2,7,18H2,1H3
InChIKeyBZXDLIDFOJFXDW-UHFFFAOYSA-N
XLogP1.89
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
(4-(Trifluoromethoxy)phenyl)urea
CID 2779224
EC-5026
CID 91933845
2,2,2-Trifluoro-N-(4-methoxy-phenyl)-acetamide
CID 101284
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
3-(4-Methoxyphenyl)-1,1-dimethylurea
CID 23550
1-(4-Methoxyphenyl)imidazolidine-2,4,5-trione
CID 4962255
1-(((4-Methoxyphenyl)amino)methyl)pyrrolidine-2,5-dione
CID 748195
1-(4-Methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2179734
p-Acetanisidide, alpha,alpha,alpha-trifluoro-
CID 74437
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 25093352

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione (CID 2822766) is 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione is CCCn1c(=O)cc(N)n(-c2ccc(OC(F)(F)F)cc2)c1=O.
What is the InChIKey of 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione?
The InChIKey is BZXDLIDFOJFXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-2-7-19-12(21)8-11(18)20(13(19)22)9-3-5-10(6-4-9)23-14(15,16)17/h3-6,8H,2,7,18H2,1H3.
What are the key properties of 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione?
6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione has a molecular weight of 329.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-propyl-1-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2822766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).