2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine

C22H19F3N6 — CID 168874776

IUPAC2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(-c3cncnc3)cnc2n1
InChIInChI=1S/C22H19F3N6/c1-12-17(5-4-6-19(12)22(23,24)25)13(2)29-21-18-7-15(16-8-26-11-27-9-16)10-28-20(18)30-14(3)31-21/h4-11,13H,1-3H3,(H,28,29,30,31)/t13-/m1/s1
InChIKeyZVAJRPIIOMGPAH-CYBMUJFWSA-N
MW424.43 g/mol
LogP5.29
Rot. Bonds4

About 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine

2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 168874776) has the molecular formula C22H19F3N6 and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID168874776
Molecular FormulaC22H19F3N6
Molecular Weight424.43 g/mol
Exact Mass424.16
IUPAC Name2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(-c3cncnc3)cnc2n1
InChIInChI=1S/C22H19F3N6/c1-12-17(5-4-6-19(12)22(23,24)25)13(2)29-21-18-7-15(16-8-26-11-27-9-16)10-28-20(18)30-14(3)31-21/h4-11,13H,1-3H3,(H,28,29,30,31)/t13-/m1/s1
InChIKeyZVAJRPIIOMGPAH-CYBMUJFWSA-N
XLogP5.29
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine (CID 168874776) is 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(-c3cncnc3)cnc2n1.
What is the InChIKey of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ZVAJRPIIOMGPAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19F3N6/c1-12-17(5-4-6-19(12)22(23,24)25)13(2)29-21-18-7-15(16-8-26-11-27-9-16)10-28-20(18)30-14(3)31-21/h4-11,13H,1-3H3,(H,28,29,30,31)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine?
2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 424.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-pyrimidin-5-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168874776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).