N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H21F2N5O — CID 134611294

IUPACN-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccc(OC(F)F)cc2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H21F2N5O/c1-11-9-14(25-17(23-11)21-10-22-25)24-15(18(2,3)4)12-5-7-13(8-6-12)26-16(19)20/h5-10,15-16,24H,1-4H3
InChIKeyHCHIQSFCECBPIQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.23
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 134611294) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID134611294
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccc(OC(F)F)cc2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H21F2N5O/c1-11-9-14(25-17(23-11)21-10-22-25)24-15(18(2,3)4)12-5-7-13(8-6-12)26-16(19)20/h5-10,15-16,24H,1-4H3
InChIKeyHCHIQSFCECBPIQ-UHFFFAOYSA-N
XLogP4.23
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611347
(1R)-2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-ol
CID 134611491
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133350697
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99801280
N-[[2-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;propan-2-ol
CID 145221152
N-[(1R)-1-(4-chlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039564
N-[(1R)-1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611331
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 134611294) is N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(c2ccc(OC(F)F)cc2)C(C)(C)C)n2ncnc2n1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HCHIQSFCECBPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O/c1-11-9-14(25-17(23-11)21-10-22-25)24-15(18(2,3)4)12-5-7-13(8-6-12)26-16(19)20/h5-10,15-16,24H,1-4H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 134611294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).