1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

C12H16F3N5O — CID 56862662

IUPAC1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)3-1-9-2-4-16-10(19-9)17-5-7-20-8-6-18-11(20)21/h2,4H,1,3,5-8H2,(H,18,21)(H,16,17,19)
InChIKeyGHFPTBVNPCPHCN-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.41
Rot. Bonds6

About 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 56862662) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID56862662
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)3-1-9-2-4-16-10(19-9)17-5-7-20-8-6-18-11(20)21/h2,4H,1,3,5-8H2,(H,18,21)(H,16,17,19)
InChIKeyGHFPTBVNPCPHCN-UHFFFAOYSA-N
XLogP1.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437
8-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56870612
4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423
1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
N-{2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50950552
(1R*,3R*)-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 56743877
cis-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 56864169
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 56862662) is 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is GHFPTBVNPCPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c13-12(14,15)3-1-9-2-4-16-10(19-9)17-5-7-20-8-6-18-11(20)21/h2,4H,1,3,5-8H2,(H,18,21)(H,16,17,19).
What are the key properties of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 303.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56862662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).