4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine

C17H11ClF2N6 — CID 67277592

IUPAC4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESFc1cc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)ccc1Cl
InChIInChI=1S/C17H11ClF2N6/c18-12-4-3-10(5-13(12)19)23-16-14(20)8-21-17(25-16)24-11-2-1-9-7-22-26-15(9)6-11/h1-8H,(H,22,26)(H2,21,23,24,25)
InChIKeyZYBNHECBZCPACY-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.77
Rot. Bonds4

About 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine

4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 67277592) has the molecular formula C17H11ClF2N6 and a molecular weight of 372.77 g/mol. Its IUPAC name is 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
PubChem CID67277592
Molecular FormulaC17H11ClF2N6
Molecular Weight372.77 g/mol
Exact Mass372.07
IUPAC Name4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESFc1cc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)ccc1Cl
InChIInChI=1S/C17H11ClF2N6/c18-12-4-3-10(5-13(12)19)23-16-14(20)8-21-17(25-16)24-11-2-1-9-7-22-26-15(9)6-11/h1-8H,(H,22,26)(H2,21,23,24,25)
InChIKeyZYBNHECBZCPACY-UHFFFAOYSA-N
XLogP4.77
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (CID 67277592) is 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is Fc1cc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)ccc1Cl.
What is the InChIKey of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is ZYBNHECBZCPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N6/c18-12-4-3-10(5-13(12)19)23-16-14(20)8-21-17(25-16)24-11-2-1-9-7-22-26-15(9)6-11/h1-8H,(H,22,26)(H2,21,23,24,25).
What are the key properties of 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 372.77 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67277592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).