6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

C20H14F4N6 — CID 162767932

IUPAC6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2cnc(-c3ccc(F)cc3)cc12)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C20H14F4N6/c1-11(13-7-26-19(27-8-13)20(22,23)24)30-18-15-6-16(12-2-4-14(21)5-3-12)25-9-17(15)28-10-29-18/h2-11H,1H3,(H,28,29,30)/t11-/m1/s1
InChIKeyBWGMOSBAUAGZSW-LLVKDONJSA-N
MW414.37 g/mol
LogP4.81
Rot. Bonds4

About 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 162767932) has the molecular formula C20H14F4N6 and a molecular weight of 414.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID162767932
Molecular FormulaC20H14F4N6
Molecular Weight414.37 g/mol
Exact Mass414.12
IUPAC Name6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2cnc(-c3ccc(F)cc3)cc12)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C20H14F4N6/c1-11(13-7-26-19(27-8-13)20(22,23)24)30-18-15-6-16(12-2-4-14(21)5-3-12)25-9-17(15)28-10-29-18/h2-11H,1H3,(H,28,29,30)/t11-/m1/s1
InChIKeyBWGMOSBAUAGZSW-LLVKDONJSA-N
XLogP4.81
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
CID 162767928
6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazoline-8-sulfonamide
CID 175224338
6-(4-fluorophenyl)-8-[(3R)-oxolan-3-yl]oxy-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 175224330
6-(4-fluorophenyl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-8-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
CID 155340618
2-[6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazolin-8-yl]oxy-1-pyrrolidin-1-ylethanone
CID 155340197
2-[6-(4-fluorophenyl)-4-[[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]amino]quinazolin-8-yl]oxy-1-pyrrolidin-1-ylethanone
CID 155340195
6-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-[[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]amino]quinazoline-8-sulfonamide
CID 167090391
[6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazolin-8-yl]oxymethyl cyclopropanecarboxylate
CID 175465303
1-[(3S)-3-[6-(4-fluorophenyl)-4-[[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]amino]quinazolin-8-yl]oxypyrrolidin-1-yl]ethanone
CID 167090375
methyl 1-[[2-[6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazolin-8-yl]oxyacetyl]amino]cyclopropane-1-carboxylate
CID 175465266
4-[[6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazolin-8-yl]oxymethyl]piperidine-4-carboxylic acid
CID 174203920
6-bromo-8-methoxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155339984

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (CID 162767932) is 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2cnc(-c3ccc(F)cc3)cc12)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is BWGMOSBAUAGZSW-LLVKDONJSA-N. The full InChI is InChI=1S/C20H14F4N6/c1-11(13-7-26-19(27-8-13)20(22,23)24)30-18-15-6-16(12-2-4-14(21)5-3-12)25-9-17(15)28-10-29-18/h2-11H,1H3,(H,28,29,30)/t11-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 414.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162767932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).