6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

C19H18ClF3N4 — CID 169096853

IUPAC6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(Cl)nc(C)c2n1
InChIInChI=1S/C19H18ClF3N4/c1-9-13(6-5-7-15(9)19(21,22)23)10(2)25-18-14-8-16(20)24-11(3)17(14)26-12(4)27-18/h5-8,10H,1-4H3,(H,25,26,27)/t10-/m1/s1
InChIKeyHLKLFEGMYUOKNR-SNVBAGLBSA-N
MW394.83 g/mol
LogP5.80
Rot. Bonds3

About 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 169096853) has the molecular formula C19H18ClF3N4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID169096853
Molecular FormulaC19H18ClF3N4
Molecular Weight394.83 g/mol
Exact Mass394.12
IUPAC Name6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(Cl)nc(C)c2n1
InChIInChI=1S/C19H18ClF3N4/c1-9-13(6-5-7-15(9)19(21,22)23)10(2)25-18-14-8-16(20)24-11(3)17(14)26-12(4)27-18/h5-8,10H,1-4H3,(H,25,26,27)/t10-/m1/s1
InChIKeyHLKLFEGMYUOKNR-SNVBAGLBSA-N
XLogP5.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,4-diamine
CID 10115841
3-[4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)butyl]guanidine
CID 22667956
N-(2-aminoethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 25190632
6-(3-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10522705
6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10618696
N-(4-aminobutyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 12084396
N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 12093949
N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-methylquinazolin-4-amine
CID 21100419
N-(6-aminohexyl)-6-tert-butyl-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-amine
CID 21100434
N-(6-aminohexyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-8-methylquinazolin-4-amine
CID 21100438
3-[6-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)hexyl]guanidine
CID 22667942

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (CID 169096853) is 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(Cl)nc(C)c2n1.
What is the InChIKey of 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is HLKLFEGMYUOKNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H18ClF3N4/c1-9-13(6-5-7-15(9)19(21,22)23)10(2)25-18-14-8-16(20)24-11(3)17(14)26-12(4)27-18/h5-8,10H,1-4H3,(H,25,26,27)/t10-/m1/s1.
What are the key properties of 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 394.83 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,8-dimethyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 169096853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).