4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

C17H16F2N6O — CID 133435270

IUPAC4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCOC2c2ccc(F)c(F)c2)cc(-n2cccn2)n1
InChIInChI=1S/C17H16F2N6O/c18-11-3-2-10(8-12(11)19)16-13(4-7-26-16)22-14-9-15(24-17(20)23-14)25-6-1-5-21-25/h1-3,5-6,8-9,13,16H,4,7H2,(H3,20,22,23,24)
InChIKeyBZQMMEQZCQCUIN-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.46
Rot. Bonds4

About 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine

4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (PubChem CID 133435270) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
PubChem CID133435270
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCOC2c2ccc(F)c(F)c2)cc(-n2cccn2)n1
InChIInChI=1S/C17H16F2N6O/c18-11-3-2-10(8-12(11)19)16-13(4-7-26-16)22-14-9-15(24-17(20)23-14)25-6-1-5-21-25/h1-3,5-6,8-9,13,16H,4,7H2,(H3,20,22,23,24)
InChIKeyBZQMMEQZCQCUIN-UHFFFAOYSA-N
XLogP2.46
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 133435463
4-N-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 100693081
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133435266
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133435434
2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133463226
[1-[6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133435438
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133435345
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128975572
3-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-nitrobenzene-1,3-diamine
CID 124626280
4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133454093
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133435175

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine (CID 133435270) is 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is Nc1nc(NC2CCOC2c2ccc(F)c(F)c2)cc(-n2cccn2)n1.
What is the InChIKey of 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
The InChIKey is BZQMMEQZCQCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c18-11-3-2-10(8-12(11)19)16-13(4-7-26-16)22-14-9-15(24-17(20)23-14)25-6-1-5-21-25/h1-3,5-6,8-9,13,16H,4,7H2,(H3,20,22,23,24).
What are the key properties of 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine?
4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine has a molecular weight of 358.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 133435270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).