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

C16H18F3N3O — CID 141426757

IUPAC1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESCN1CCCN2CN=C(OCc3ccc(C(F)(F)F)cc3)C=C12
InChIInChI=1S/C16H18F3N3O/c1-21-7-2-8-22-11-20-14(9-15(21)22)23-10-12-3-5-13(6-4-12)16(17,18)19/h3-6,9H,2,7-8,10-11H2,1H3
InChIKeyINQFJGCWTLZIHJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.07
Rot. Bonds2

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

1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (PubChem CID 141426757) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.

Molecular Properties

Compound Name1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
PubChem CID141426757
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESCN1CCCN2CN=C(OCc3ccc(C(F)(F)F)cc3)C=C12
InChIInChI=1S/C16H18F3N3O/c1-21-7-2-8-22-11-20-14(9-15(21)22)23-10-12-3-5-13(6-4-12)16(17,18)19/h3-6,9H,2,7-8,10-11H2,1H3
InChIKeyINQFJGCWTLZIHJ-UHFFFAOYSA-N
XLogP3.07
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-4-piperidin-1-yl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidine
CID 174489179
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine
CID 58576730
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171507515
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
(2S)-1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]pyrrolidine-2-carboxylic acid
CID 11290073
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The IUPAC name of 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (CID 141426757) is 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.
What is the SMILES notation for 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The canonical SMILES for 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is CN1CCCN2CN=C(OCc3ccc(C(F)(F)F)cc3)C=C12.
What is the InChIKey of 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The InChIKey is INQFJGCWTLZIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-21-7-2-8-22-11-20-14(9-15(21)22)23-10-12-3-5-13(6-4-12)16(17,18)19/h3-6,9H,2,7-8,10-11H2,1H3.
What are the key properties of 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine has a molecular weight of 325.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is sourced from PubChem (CID 141426757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).