N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C23H24F3N5 — CID 11750695

IUPACN-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1
InChIInChI=1S/C23H24F3N5/c1-22(2,3)15-6-8-16(9-7-15)30-20-17-10-12-31(13-19(17)28-14-29-20)21-18(23(24,25)26)5-4-11-27-21/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,29,30)
InChIKeyFYRGCOSNHNEARX-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.49
Rot. Bonds3

About N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11750695) has the molecular formula C23H24F3N5 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11750695
Molecular FormulaC23H24F3N5
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC NameN-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1
InChIInChI=1S/C23H24F3N5/c1-22(2,3)15-6-8-16(9-7-15)30-20-17-10-12-31(13-19(17)28-14-29-20)21-18(23(24,25)26)5-4-11-27-21/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,29,30)
InChIKeyFYRGCOSNHNEARX-UHFFFAOYSA-N
XLogP5.49
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11750695) is N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC(C)(C)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is FYRGCOSNHNEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5/c1-22(2,3)15-6-8-16(9-7-15)30-20-17-10-12-31(13-19(17)28-14-29-20)21-18(23(24,25)26)5-4-11-27-21/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,29,30).
What are the key properties of N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 427.47 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11750695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).