4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine

C26H27F3N8O — CID 178172118

IUPAC4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine
SMILESCOc1ncnc(C2CC2)c1-c1ncnc(N[C@@H](C)c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1
InChIInChI=1S/C26H27F3N8O/c1-14(2)37-11-19(26(27,28)29)35-23(37)18-9-5-16(6-10-18)15(3)34-25-33-13-31-22(36-25)20-21(17-7-8-17)30-12-32-24(20)38-4/h5-6,9-15,17H,7-8H2,1-4H3,(H,31,33,34,36)/t15-/m0/s1
InChIKeyQBJGRDGPPZFOEM-HNNXBMFYSA-N
MW524.55 g/mol
LogP5.85
Rot. Bonds8

About 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine

4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine (PubChem CID 178172118) has the molecular formula C26H27F3N8O and a molecular weight of 524.55 g/mol. Its IUPAC name is 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine
PubChem CID178172118
Molecular FormulaC26H27F3N8O
Molecular Weight524.55 g/mol
Exact Mass524.23
IUPAC Name4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine
SMILESCOc1ncnc(C2CC2)c1-c1ncnc(N[C@@H](C)c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1
InChIInChI=1S/C26H27F3N8O/c1-14(2)37-11-19(26(27,28)29)35-23(37)18-9-5-16(6-10-18)15(3)34-25-33-13-31-22(36-25)20-21(17-7-8-17)30-12-32-24(20)38-4/h5-6,9-15,17H,7-8H2,1-4H3,(H,31,33,34,36)/t15-/m0/s1
InChIKeyQBJGRDGPPZFOEM-HNNXBMFYSA-N
XLogP5.85
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine (CID 178172118) is 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine is COc1ncnc(C2CC2)c1-c1ncnc(N[C@@H](C)c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1.
What is the InChIKey of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine?
The InChIKey is QBJGRDGPPZFOEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H27F3N8O/c1-14(2)37-11-19(26(27,28)29)35-23(37)18-9-5-16(6-10-18)15(3)34-25-33-13-31-22(36-25)20-21(17-7-8-17)30-12-32-24(20)38-4/h5-6,9-15,17H,7-8H2,1-4H3,(H,31,33,34,36)/t15-/m0/s1.
What are the key properties of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine?
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine has a molecular weight of 524.55 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 178172118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).