5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine

C23H26F2N4O2 — CID 123507437

IUPAC5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESCCCc1nc(OC(F)F)c(-c2cccc(OC(C)C)c2)cc1Cc1cnc(N)nc1
InChIInChI=1S/C23H26F2N4O2/c1-4-6-20-17(9-15-12-27-23(26)28-13-15)11-19(21(29-20)31-22(24)25)16-7-5-8-18(10-16)30-14(2)3/h5,7-8,10-14,22H,4,6,9H2,1-3H3,(H2,26,27,28)
InChIKeyBSAHUZNAAFDQKA-UHFFFAOYSA-N
MW428.48 g/mol
LogP5.05
Rot. Bonds9

About 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine

5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine (PubChem CID 123507437) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine
PubChem CID123507437
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESCCCc1nc(OC(F)F)c(-c2cccc(OC(C)C)c2)cc1Cc1cnc(N)nc1
InChIInChI=1S/C23H26F2N4O2/c1-4-6-20-17(9-15-12-27-23(26)28-13-15)11-19(21(29-20)31-22(24)25)16-7-5-8-18(10-16)30-14(2)3/h5,7-8,10-14,22H,4,6,9H2,1-3H3,(H2,26,27,28)
InChIKeyBSAHUZNAAFDQKA-UHFFFAOYSA-N
XLogP5.05
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide
CID 90415667
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide
CID 150776711
2-[3-(difluoromethoxy)phenyl]-3-ethoxy-6-[(3-methyl-1,2,4-triazol-1-yl)methyl]-5-propylpyrazine
CID 123257655
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
CID 90415233
3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
CID 79405300
2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
CID 56719109
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
3-butyl-5-(3-propan-2-yloxyphenyl)imidazol-4-amine
CID 62017559
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole
CID 55131382
2-(2-amino-5-phenylpyrimidin-4-yl)-5-propan-2-yloxyphenol
CID 135856927
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile
CID 151067245

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine (CID 123507437) is 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine is CCCc1nc(OC(F)F)c(-c2cccc(OC(C)C)c2)cc1Cc1cnc(N)nc1.
What is the InChIKey of 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine?
The InChIKey is BSAHUZNAAFDQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-4-6-20-17(9-15-12-27-23(26)28-13-15)11-19(21(29-20)31-22(24)25)16-7-5-8-18(10-16)30-14(2)3/h5,7-8,10-14,22H,4,6,9H2,1-3H3,(H2,26,27,28).
What are the key properties of 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine?
5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine has a molecular weight of 428.48 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 123507437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).