N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine

C12H11ClFN5 — CID 87335669

IUPACN-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine
SMILESCN1NCc2ccc(Nc3nc(Cl)ncc3F)cc21
InChIInChI=1S/C12H11ClFN5/c1-19-10-4-8(3-2-7(10)5-16-19)17-11-9(14)6-15-12(13)18-11/h2-4,6,16H,5H2,1H3,(H,15,17,18)
InChIKeyWTWXRWWQMLVFTP-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.47
Rot. Bonds2

About N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine

N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine (PubChem CID 87335669) has the molecular formula C12H11ClFN5 and a molecular weight of 279.71 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine
PubChem CID87335669
Molecular FormulaC12H11ClFN5
Molecular Weight279.71 g/mol
Exact Mass279.07
IUPAC NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine
SMILESCN1NCc2ccc(Nc3nc(Cl)ncc3F)cc21
InChIInChI=1S/C12H11ClFN5/c1-19-10-4-8(3-2-7(10)5-16-19)17-11-9(14)6-15-12(13)18-11/h2-4,6,16H,5H2,1H3,(H,15,17,18)
InChIKeyWTWXRWWQMLVFTP-UHFFFAOYSA-N
XLogP2.47
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-difluorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-6-yl)pyrimidine-2,4-diamine
CID 67277033
4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine
CID 66759074
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
methyl 2-[6-[[5-fluoro-2-[[1-(2-methoxy-2-oxoethyl)-2,3-dihydroindazol-6-yl]amino]pyrimidin-4-yl]amino]-2,3-dihydroindazol-1-yl]acetate
CID 67233468
N,2-bis(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 22060957
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
1-[4-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-fluorophenyl]piperazin-1-yl]ethanone
CID 166477852
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79081237
7-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylisoquinoline-1,3-dione
CID 87335835
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine?
The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine (CID 87335669) is N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine.
What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine?
The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine is CN1NCc2ccc(Nc3nc(Cl)ncc3F)cc21.
What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine?
The InChIKey is WTWXRWWQMLVFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN5/c1-19-10-4-8(3-2-7(10)5-16-19)17-11-9(14)6-15-12(13)18-11/h2-4,6,16H,5H2,1H3,(H,15,17,18).
What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine?
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine has a molecular weight of 279.71 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine is sourced from PubChem (CID 87335669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).