6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H17F4N5O — CID 122669681

IUPAC6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(OCC(F)(F)F)c1
InChIInChI=1S/C20H17F4N5O/c1-12-16-10-27-19(18-25-4-2-5-26-18)28-17(16)3-6-29(12)14-7-13(21)8-15(9-14)30-11-20(22,23)24/h2,4-5,7-10,12H,3,6,11H2,1H3
InChIKeyZJQLVUBHYKTEIF-UHFFFAOYSA-N
MW419.38 g/mol
LogP4.14
Rot. Bonds4

About 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669681) has the molecular formula C20H17F4N5O and a molecular weight of 419.38 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669681
Molecular FormulaC20H17F4N5O
Molecular Weight419.38 g/mol
Exact Mass419.14
IUPAC Name6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(OCC(F)(F)F)c1
InChIInChI=1S/C20H17F4N5O/c1-12-16-10-27-19(18-25-4-2-5-26-18)28-17(16)3-6-29(12)14-7-13(21)8-15(9-14)30-11-20(22,23)24/h2,4-5,7-10,12H,3,6,11H2,1H3
InChIKeyZJQLVUBHYKTEIF-UHFFFAOYSA-N
XLogP4.14
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

CP-293019
CID 9820261
5-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 44242593
5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(4-Fluorophenoxy)-2-pyridin-2-ylquinazoline
CID 930136
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1478442
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152
(7S,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-pyrimidin-2-yl)-octahydro-pyrido[1,2-a]pyrazine
CID 9885219
(7R,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-pyrimidin-2-yl)-octahydro-pyrido[1,2-a]pyrazine
CID 9906895

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669681) is 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(OCC(F)(F)F)c1.
What is the InChIKey of 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZJQLVUBHYKTEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O/c1-12-16-10-27-19(18-25-4-2-5-26-18)28-17(16)3-6-29(12)14-7-13(21)8-15(9-14)30-11-20(22,23)24/h2,4-5,7-10,12H,3,6,11H2,1H3.
What are the key properties of 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 419.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).