2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine

C19H17FN6 — CID 56649405

IUPAC2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C19H17FN6/c1-25-12-13-6-7-16(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-15-5-3-4-14(20)10-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeySMJHQKWSZLGTFB-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.01
Rot. Bonds4

About 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine

2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 56649405) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
PubChem CID56649405
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C19H17FN6/c1-25-12-13-6-7-16(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-15-5-3-4-14(20)10-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeySMJHQKWSZLGTFB-UHFFFAOYSA-N
XLogP4.01
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine (CID 56649405) is 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine is CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is SMJHQKWSZLGTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-25-12-13-6-7-16(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-15-5-3-4-14(20)10-15/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 348.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 56649405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).