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

C9H11FN6 — CID 69281705

IUPAC5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccnn2C)ncc1F
InChIInChI=1S/C9H11FN6/c1-11-8-6(10)5-12-9(15-8)14-7-3-4-13-16(7)2/h3-5H,1-2H3,(H2,11,12,14,15)
InChIKeyNQKRLTDEGNMBPL-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.13
Rot. Bonds3

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

5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 69281705) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID69281705
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccnn2C)ncc1F
InChIInChI=1S/C9H11FN6/c1-11-8-6(10)5-12-9(15-8)14-7-3-4-13-16(7)2/h3-5H,1-2H3,(H2,11,12,14,15)
InChIKeyNQKRLTDEGNMBPL-UHFFFAOYSA-N
XLogP1.13
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 69281705) is 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is CNc1nc(Nc2ccnn2C)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is NQKRLTDEGNMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-11-8-6(10)5-12-9(15-8)14-7-3-4-13-16(7)2/h3-5H,1-2H3,(H2,11,12,14,15).
What are the key properties of 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 222.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69281705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).