6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

C18H16BrF3N4 — CID 163365507

IUPAC6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(Br)cnc2n1
InChIInChI=1S/C18H16BrF3N4/c1-9-13(5-4-6-15(9)18(20,21)22)10(2)24-17-14-7-12(19)8-23-16(14)25-11(3)26-17/h4-8,10H,1-3H3,(H,23,24,25,26)/t10-/m1/s1
InChIKeyGJUKKUXJTUKMOX-SNVBAGLBSA-N
MW425.25 g/mol
LogP5.60
Rot. Bonds3

About 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 163365507) has the molecular formula C18H16BrF3N4 and a molecular weight of 425.25 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID163365507
Molecular FormulaC18H16BrF3N4
Molecular Weight425.25 g/mol
Exact Mass424.05
IUPAC Name6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(Br)cnc2n1
InChIInChI=1S/C18H16BrF3N4/c1-9-13(5-4-6-15(9)18(20,21)22)10(2)24-17-14-7-12(19)8-23-16(14)25-11(3)26-17/h4-8,10H,1-3H3,(H,23,24,25,26)/t10-/m1/s1
InChIKeyGJUKKUXJTUKMOX-SNVBAGLBSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.25
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 163365507) is 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(Br)cnc2n1.
What is the InChIKey of 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is GJUKKUXJTUKMOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16BrF3N4/c1-9-13(5-4-6-15(9)18(20,21)22)10(2)24-17-14-7-12(19)8-23-16(14)25-11(3)26-17/h4-8,10H,1-3H3,(H,23,24,25,26)/t10-/m1/s1.
What are the key properties of 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 425.25 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163365507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).