8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine

C20H19F2N3O2 — CID 141426752

IUPAC8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine
SMILESFc1cccc(Oc2ccc(COC3=NCN4CCCNC4=C3)cc2F)c1
InChIInChI=1S/C20H19F2N3O2/c21-15-3-1-4-16(10-15)27-18-6-5-14(9-17(18)22)12-26-20-11-19-23-7-2-8-25(19)13-24-20/h1,3-6,9-11,23H,2,7-8,12-13H2
InChIKeyNLJRUJDYMNYHPG-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.78
Rot. Bonds4

About 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine

8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine (PubChem CID 141426752) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine
PubChem CID141426752
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine
SMILESFc1cccc(Oc2ccc(COC3=NCN4CCCNC4=C3)cc2F)c1
InChIInChI=1S/C20H19F2N3O2/c21-15-3-1-4-16(10-15)27-18-6-5-14(9-17(18)22)12-26-20-11-19-23-7-2-8-25(19)13-24-20/h1,3-6,9-11,23H,2,7-8,12-13H2
InChIKeyNLJRUJDYMNYHPG-UHFFFAOYSA-N
XLogP3.78
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine with MolForge

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Related Compounds

[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
CID 71240329
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
7-[[3-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 71243771
11-[[3-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,3,4,5,6,7-hexahydro-1H-pyrimido[1,6-a][1,3]diazonin-9-one
CID 118685957
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918435
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
3-[2-fluoro-4-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]phenoxy]benzonitrile
CID 71243770
8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 123495959
8-[[4-(3,5-difluorophenoxy)-3-fluorophenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236587

Frequently Asked Questions

What is the IUPAC name of 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine?
The IUPAC name of 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine (CID 141426752) is 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine.
What is the SMILES notation for 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine?
The canonical SMILES for 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine is Fc1cccc(Oc2ccc(COC3=NCN4CCCNC4=C3)cc2F)c1.
What is the InChIKey of 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine?
The InChIKey is NLJRUJDYMNYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-15-3-1-4-16(10-15)27-18-6-5-14(9-17(18)22)12-26-20-11-19-23-7-2-8-25(19)13-24-20/h1,3-6,9-11,23H,2,7-8,12-13H2.
What are the key properties of 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine?
8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine has a molecular weight of 371.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine is sourced from PubChem (CID 141426752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).