5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine

C10H11FN6 — CID 106898146

IUPAC5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2cccnn2)n1
InChIInChI=1S/C10H11FN6/c1-12-10-14-6-8(11)9(16-10)13-5-7-3-2-4-15-17-7/h2-4,6H,5H2,1H3,(H2,12,13,14,16)
InChIKeyAJVPOUNIMJHTBZ-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.06
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 106898146) has the molecular formula C10H11FN6 and a molecular weight of 234.24 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID106898146
Molecular FormulaC10H11FN6
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2cccnn2)n1
InChIInChI=1S/C10H11FN6/c1-12-10-14-6-8(11)9(16-10)13-5-7-3-2-4-15-17-7/h2-4,6H,5H2,1H3,(H2,12,13,14,16)
InChIKeyAJVPOUNIMJHTBZ-UHFFFAOYSA-N
XLogP1.06
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine (CID 106898146) is 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(NCc2cccnn2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is AJVPOUNIMJHTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6/c1-12-10-14-6-8(11)9(16-10)13-5-7-3-2-4-15-17-7/h2-4,6H,5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 234.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106898146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).