7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine

C16H19F2N3O — CID 141409371

IUPAC7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine
SMILES[2H]C([2H])(OC1=NCN2CC(C)(C)N(C)C2=C1)c1cccc(F)c1F
InChIInChI=1S/C16H19F2N3O/c1-16(2)9-21-10-19-13(7-14(21)20(16)3)22-8-11-5-4-6-12(17)15(11)18/h4-7H,8-10H2,1-3H3/i8D2
InChIKeyKZJMKMAHOVMMQZ-MGVXTIMCSA-N
MW309.36 g/mol
LogP2.72
Rot. Bonds2

About 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine

7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 141409371) has the molecular formula C16H19F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine
PubChem CID141409371
Molecular FormulaC16H19F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine
SMILES[2H]C([2H])(OC1=NCN2CC(C)(C)N(C)C2=C1)c1cccc(F)c1F
InChIInChI=1S/C16H19F2N3O/c1-16(2)9-21-10-19-13(7-14(21)20(16)3)22-8-11-5-4-6-12(17)15(11)18/h4-7H,8-10H2,1-3H3/i8D2
InChIKeyKZJMKMAHOVMMQZ-MGVXTIMCSA-N
XLogP2.72
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
(2S)-1,2-dimethyl-8-[(3,4,5-trifluorophenyl)methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407429
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
1-[(2,3-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 64838563
1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine
CID 136529893
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
CID 138705585
7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclopentane]-5-one
CID 138705590
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
CID 66466439
1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119924222

Frequently Asked Questions

What is the IUPAC name of 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine (CID 141409371) is 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine is [2H]C([2H])(OC1=NCN2CC(C)(C)N(C)C2=C1)c1cccc(F)c1F.
What is the InChIKey of 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is KZJMKMAHOVMMQZ-MGVXTIMCSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-16(2)9-21-10-19-13(7-14(21)20(16)3)22-8-11-5-4-6-12(17)15(11)18/h4-7H,8-10H2,1-3H3/i8D2.
What are the key properties of 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine?
7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 309.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[dideuterio-(2,3-difluorophenyl)methoxy]-1,2,2-trimethyl-3,5-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 141409371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).