4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine

C20H19FN6 — CID 54673095

IUPAC4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1c2ccc(N(C)c3ccnc(Nc4cccc(F)c4)n3)cc2nn1C
InChIInChI=1S/C20H19FN6/c1-13-17-8-7-16(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-15-6-4-5-14(21)11-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyZZOSNJKKAQFXHV-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.32
Rot. Bonds4

About 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine

4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 54673095) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID54673095
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1c2ccc(N(C)c3ccnc(Nc4cccc(F)c4)n3)cc2nn1C
InChIInChI=1S/C20H19FN6/c1-13-17-8-7-16(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-15-6-4-5-14(21)11-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyZZOSNJKKAQFXHV-UHFFFAOYSA-N
XLogP4.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

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CID 10113978
Pazopanib Hydrochloride
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Gsk-1070916
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CID 9798973
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
Ldn-212854
CID 60182388
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CID 5328280
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 54673095) is 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine is Cc1c2ccc(N(C)c3ccnc(Nc4cccc(F)c4)n3)cc2nn1C.
What is the InChIKey of 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ZZOSNJKKAQFXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-13-17-8-7-16(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-15-6-4-5-14(21)11-15/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 362.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 54673095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).