2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine

C16H19FN4O — CID 137211864

IUPAC2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine
SMILESC/N=C1\C=CN2C=C(c3cccc(OCCF)c3)N(C)C2N1
InChIInChI=1S/C16H19FN4O/c1-18-15-6-8-21-11-14(20(2)16(21)19-15)12-4-3-5-13(10-12)22-9-7-17/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,18,19)
InChIKeyCZVYDTRSWLXIBJ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.01
Rot. Bonds4

About 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine

2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine (PubChem CID 137211864) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine.

Molecular Properties

Compound Name2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine
PubChem CID137211864
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine
SMILESC/N=C1\C=CN2C=C(c3cccc(OCCF)c3)N(C)C2N1
InChIInChI=1S/C16H19FN4O/c1-18-15-6-8-21-11-14(20(2)16(21)19-15)12-4-3-5-13(10-12)22-9-7-17/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,18,19)
InChIKeyCZVYDTRSWLXIBJ-UHFFFAOYSA-N
XLogP2.01
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-Aminohexyl)-3-cyano-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
CID 15179488
N'-cyano-4-[3-[(dimethylamino)methyl]phenoxy]butanimidamide
CID 44381410
8-[4-[3-(4-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7,8-dihydro-2H-purine
CID 66894296
8-[4-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7,8-dihydro-2H-purine
CID 66894304
8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7,8-dihydro-2H-purine
CID 66900659
6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one
CID 67147406
6-[(3-ethoxy-4-fluorophenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one
CID 68846340
2-(6-fluoro-1-methyl-3a,4-dihydroindol-3-yl)-N-methyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 71221053
4-(1-Methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-4-ium-6-amine
CID 87069908
4-(1-Propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-4-ium-6-amine
CID 87070418
3-(3-phenylmethoxyphenyl)-1-(trifluoromethyl)-4H-imidazo[1,5-a]pyrazin-4-ium chloride
CID 87391371
4-(1-Methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-amine
CID 89389875

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine?
The IUPAC name of 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine (CID 137211864) is 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine.
What is the SMILES notation for 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine?
The canonical SMILES for 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine is C/N=C1\C=CN2C=C(c3cccc(OCCF)c3)N(C)C2N1.
What is the InChIKey of 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine?
The InChIKey is CZVYDTRSWLXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-18-15-6-8-21-11-14(20(2)16(21)19-15)12-4-3-5-13(10-12)22-9-7-17/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine?
2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine has a molecular weight of 302.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethoxy)phenyl]-N,1-dimethyl-8,8a-dihydroimidazo[1,2-a]pyrimidin-7-imine is sourced from PubChem (CID 137211864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).