3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione

C14H14F3N3O2 — CID 146334414

IUPAC3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(NCc2cccc(C(F)(F)F)c2)[nH]c1=O
InChIInChI=1S/C14H14F3N3O2/c1-2-20-12(21)7-11(19-13(20)22)18-8-9-4-3-5-10(6-9)14(15,16)17/h3-7,18H,2,8H2,1H3,(H,19,22)
InChIKeyGJCHLBQHAUNBFQ-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.19
Rot. Bonds4

About 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione

3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione (PubChem CID 146334414) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
PubChem CID146334414
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(NCc2cccc(C(F)(F)F)c2)[nH]c1=O
InChIInChI=1S/C14H14F3N3O2/c1-2-20-12(21)7-11(19-13(20)22)18-8-9-4-3-5-10(6-9)14(15,16)17/h3-7,18H,2,8H2,1H3,(H,19,22)
InChIKeyGJCHLBQHAUNBFQ-UHFFFAOYSA-N
XLogP2.19
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 18922799
1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
CID 24536906
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129453025
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 61225671
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334475

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione (CID 146334414) is 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(NCc2cccc(C(F)(F)F)c2)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is GJCHLBQHAUNBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-2-20-12(21)7-11(19-13(20)22)18-8-9-4-3-5-10(6-9)14(15,16)17/h3-7,18H,2,8H2,1H3,(H,19,22).
What are the key properties of 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione?
3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 313.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146334414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).