4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide

C27H27F3N4O2 — CID 143083674

IUPAC4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cccc2c1.Cc1ccnc(NC(C)C)n1
InChIInChI=1S/C19H14F3NO2.C8H13N3/c1-12-5-10-16-13(11-12)3-2-4-17(16)18(24)23-14-6-8-15(9-7-14)25-19(20,21)22;1-6(2)10-8-9-5-4-7(3)11-8/h2-11H,1H3,(H,23,24);4-6H,1-3H3,(H,9,10,11)
InChIKeyGZHJARGRHFUESP-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.90
Rot. Bonds5

About 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide

4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide (PubChem CID 143083674) has the molecular formula C27H27F3N4O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
PubChem CID143083674
Molecular FormulaC27H27F3N4O2
Molecular Weight496.53 g/mol
Exact Mass496.21
IUPAC Name4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cccc2c1.Cc1ccnc(NC(C)C)n1
InChIInChI=1S/C19H14F3NO2.C8H13N3/c1-12-5-10-16-13(11-12)3-2-4-17(16)18(24)23-14-6-8-15(9-7-14)25-19(20,21)22;1-6(2)10-8-9-5-4-7(3)11-8/h2-11H,1H3,(H,23,24);4-6H,1-3H3,(H,9,10,11)
InChIKeyGZHJARGRHFUESP-UHFFFAOYSA-N
XLogP6.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813795
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813523
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 67406449
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 23150979
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide
CID 59924831
ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
CID 1490625
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 55433955
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide (CID 143083674) is 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide is Cc1ccc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cccc2c1.Cc1ccnc(NC(C)C)n1.
What is the InChIKey of 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The InChIKey is GZHJARGRHFUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2.C8H13N3/c1-12-5-10-16-13(11-12)3-2-4-17(16)18(24)23-14-6-8-15(9-7-14)25-19(20,21)22;1-6(2)10-8-9-5-4-7(3)11-8/h2-11H,1H3,(H,23,24);4-6H,1-3H3,(H,9,10,11).
What are the key properties of 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 6.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 143083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).