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

C19H17FN6O2 — CID 67276868

IUPAC4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2F)cc1OC
InChIInChI=1S/C19H17FN6O2/c1-27-16-6-4-13(8-17(16)28-2)23-18-14(20)10-21-19(25-18)24-12-3-5-15-11(7-12)9-22-26-15/h3-10H,1-2H3,(H,22,26)(H2,21,23,24,25)
InChIKeyAJXCMXGLXFFOKO-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.00
Rot. Bonds6

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

4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 67276868) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine
PubChem CID67276868
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2F)cc1OC
InChIInChI=1S/C19H17FN6O2/c1-27-16-6-4-13(8-17(16)28-2)23-18-14(20)10-21-19(25-18)24-12-3-5-15-11(7-12)9-22-26-15/h3-10H,1-2H3,(H,22,26)(H2,21,23,24,25)
InChIKeyAJXCMXGLXFFOKO-UHFFFAOYSA-N
XLogP4.00
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine (CID 67276868) is 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2F)cc1OC.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is AJXCMXGLXFFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-27-16-6-4-13(8-17(16)28-2)23-18-14(20)10-21-19(25-18)24-12-3-5-15-11(7-12)9-22-26-15/h3-10H,1-2H3,(H,22,26)(H2,21,23,24,25).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine?
4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 380.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67276868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).