(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine

C15H16F3N3O — CID 141409366

IUPAC(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine
SMILESC[C@H]1CN2CN=C(OCc3cc(F)c(F)c(F)c3)C=C2N1C
InChIInChI=1S/C15H16F3N3O/c1-9-6-21-8-19-13(5-14(21)20(9)2)22-7-10-3-11(16)15(18)12(17)4-10/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1
InChIKeyZDSLZTJACIEZJE-VIFPVBQESA-N
MW311.31 g/mol
LogP2.47
Rot. Bonds2

About (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine

(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine (PubChem CID 141409366) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine
PubChem CID141409366
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine
SMILESC[C@H]1CN2CN=C(OCc3cc(F)c(F)c(F)c3)C=C2N1C
InChIInChI=1S/C15H16F3N3O/c1-9-6-21-8-19-13(5-14(21)20(9)2)22-7-10-3-11(16)15(18)12(17)4-10/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1
InChIKeyZDSLZTJACIEZJE-VIFPVBQESA-N
XLogP2.47
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-1,2-dimethyl-8-[(3,4,5-trifluorophenyl)methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407429
N-[[3,5-difluoro-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114538745
(2S)-7-[(3,4-difluorophenyl)methoxy]-1,2-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 86728343
4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene
CID 164969778
4-[4-(chloromethyl)-2-fluorophenyl]-1,2,6-trimethylpiperazine
CID 114538487
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 63050226
7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine
CID 141409371
(3,4,5-trifluorophenyl)methyl methanesulfonate
CID 102620887
7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine
CID 130314630
4-[(3,4-difluorophenyl)methoxy]-6-methylidene-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-diene
CID 139312578
1-[2-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-1,3-dioxan-5-yl]propan-1-amine
CID 134561152
(3,4,5-trifluorophenyl)methyl formate
CID 87066177

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine?
The IUPAC name of (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine (CID 141409366) is (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine.
What is the SMILES notation for (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine?
The canonical SMILES for (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine is C[C@H]1CN2CN=C(OCc3cc(F)c(F)c(F)c3)C=C2N1C.
What is the InChIKey of (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine?
The InChIKey is ZDSLZTJACIEZJE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9-6-21-8-19-13(5-14(21)20(9)2)22-7-10-3-11(16)15(18)12(17)4-10/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine?
(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 141409366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).