5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine

C11H15FN6 — CID 67970494

IUPAC5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)n1nccc1N(C)c1nc(N)ncc1F
InChIInChI=1S/C11H15FN6/c1-7(2)18-9(4-5-15-18)17(3)10-8(12)6-14-11(13)16-10/h4-7H,1-3H3,(H2,13,14,16)
InChIKeySTCOYTJMWYKQNO-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.74
Rot. Bonds3

About 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 67970494) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID67970494
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)n1nccc1N(C)c1nc(N)ncc1F
InChIInChI=1S/C11H15FN6/c1-7(2)18-9(4-5-15-18)17(3)10-8(12)6-14-11(13)16-10/h4-7H,1-3H3,(H2,13,14,16)
InChIKeySTCOYTJMWYKQNO-UHFFFAOYSA-N
XLogP1.74
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 67970494) is 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine is CC(C)n1nccc1N(C)c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is STCOYTJMWYKQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c1-7(2)18-9(4-5-15-18)17(3)10-8(12)6-14-11(13)16-10/h4-7H,1-3H3,(H2,13,14,16).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 250.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(2-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67970494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).