2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C15H19F5N6O — CID 140943472

IUPAC2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cn(C(C)COC(F)F)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H19F5N6O/c1-4-21-12-10(15(18,19)20)5-22-14(24-12)23-11-6-26(25-9(11)3)8(2)7-27-13(16)17/h5-6,8,13H,4,7H2,1-3H3,(H2,21,22,23,24)
InChIKeyFBKFQIVMNLDIMY-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.98
Rot. Bonds8

About 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 140943472) has the molecular formula C15H19F5N6O and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID140943472
Molecular FormulaC15H19F5N6O
Molecular Weight394.35 g/mol
Exact Mass394.15
IUPAC Name2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cn(C(C)COC(F)F)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H19F5N6O/c1-4-21-12-10(15(18,19)20)5-22-14(24-12)23-11-6-26(25-9(11)3)8(2)7-27-13(16)17/h5-6,8,13H,4,7H2,1-3H3,(H2,21,22,23,24)
InChIKeyFBKFQIVMNLDIMY-UHFFFAOYSA-N
XLogP3.98
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
2-N-(6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201489
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
2-Methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol
CID 67817055
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 69081779
2-N-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69081998
N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69083959
2-N-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69085771
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 140943472) is 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2cn(C(C)COC(F)F)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is FBKFQIVMNLDIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5N6O/c1-4-21-12-10(15(18,19)20)5-22-14(24-12)23-11-6-26(25-9(11)3)8(2)7-27-13(16)17/h5-6,8,13H,4,7H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-[1-(difluoromethoxy)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 394.35 g/mol, XLogP of 3.98, 8 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]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 140943472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).