8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine

C21H20F3N3O — CID 141409299

IUPAC8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESFc1ccc(CN2CCCN3CN=C(OCc4ccc(F)c(F)c4)C=C32)cc1
InChIInChI=1S/C21H20F3N3O/c22-17-5-2-15(3-6-17)12-26-8-1-9-27-14-25-20(11-21(26)27)28-13-16-4-7-18(23)19(24)10-16/h2-7,10-11H,1,8-9,12-14H2
InChIKeyPXVOIYBGMKQIOY-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.04
Rot. Bonds4

About 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine

8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (PubChem CID 141409299) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
PubChem CID141409299
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESFc1ccc(CN2CCCN3CN=C(OCc4ccc(F)c(F)c4)C=C32)cc1
InChIInChI=1S/C21H20F3N3O/c22-17-5-2-15(3-6-17)12-26-8-1-9-27-14-25-20(11-21(26)27)28-13-16-4-7-18(23)19(24)10-16/h2-7,10-11H,1,8-9,12-14H2
InChIKeyPXVOIYBGMKQIOY-UHFFFAOYSA-N
XLogP4.04
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-[4-(3,4-difluorophenoxy)phenyl]ethoxy]-1-methyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 123495959
(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407430
(2S)-1,2-dimethyl-8-[(3,4,5-trifluorophenyl)methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407429
8-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methoxy]-2,3,4,6-tetrahydro-1H-pyrimido[1,2-c]pyrimidine
CID 141426752
(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine
CID 141409366
4-[(3,4-difluorophenyl)methoxy]-6-methylidene-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-diene
CID 139312578
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine
CID 95923309
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-[(3,4-difluorophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidine
CID 10325170
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 79015275

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The IUPAC name of 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (CID 141409299) is 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.
What is the SMILES notation for 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The canonical SMILES for 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is Fc1ccc(CN2CCCN3CN=C(OCc4ccc(F)c(F)c4)C=C32)cc1.
What is the InChIKey of 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The InChIKey is PXVOIYBGMKQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-17-5-2-15(3-6-17)12-26-8-1-9-27-14-25-20(11-21(26)27)28-13-16-4-7-18(23)19(24)10-16/h2-7,10-11H,1,8-9,12-14H2.
What are the key properties of 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine has a molecular weight of 387.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is sourced from PubChem (CID 141409299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).