2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H17F5N6O — CID 140943409

IUPAC2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C(C)COC(F)F)c2C)ncc1C(F)(F)F
InChIInChI=1S/C14H17F5N6O/c1-7(6-26-12(15)16)25-8(2)10(5-22-25)23-13-21-4-9(14(17,18)19)11(20-3)24-13/h4-5,7,12H,6H2,1-3H3,(H2,20,21,23,24)
InChIKeyZRIRCRYQCNDAKI-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.59
Rot. Bonds7

About 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 140943409) has the molecular formula C14H17F5N6O and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID140943409
Molecular FormulaC14H17F5N6O
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C(C)COC(F)F)c2C)ncc1C(F)(F)F
InChIInChI=1S/C14H17F5N6O/c1-7(6-26-12(15)16)25-8(2)10(5-22-25)23-13-21-4-9(14(17,18)19)11(20-3)24-13/h4-5,7,12H,6H2,1-3H3,(H2,20,21,23,24)
InChIKeyZRIRCRYQCNDAKI-UHFFFAOYSA-N
XLogP3.59
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 140943409) is 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cnn(C(C)COC(F)F)c2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZRIRCRYQCNDAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N6O/c1-7(6-26-12(15)16)25-8(2)10(5-22-25)23-13-21-4-9(14(17,18)19)11(20-3)24-13/h4-5,7,12H,6H2,1-3H3,(H2,20,21,23,24).
What are the key properties of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 380.32 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 140943409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).