5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

C12H13FN4 — CID 3763519

IUPAC5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(Cc2ccccc2F)c(N)n1
InChIInChI=1S/C12H13FN4/c1-7-16-11(14)9(12(15)17-7)6-8-4-2-3-5-10(8)13/h2-5H,6H2,1H3,(H4,14,15,16,17)
InChIKeyMIYYOMSMQREKGX-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.68
Rot. Bonds2

About 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 3763519) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID3763519
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(Cc2ccccc2F)c(N)n1
InChIInChI=1S/C12H13FN4/c1-7-16-11(14)9(12(15)17-7)6-8-4-2-3-5-10(8)13/h2-5H,6H2,1H3,(H4,14,15,16,17)
InChIKeyMIYYOMSMQREKGX-UHFFFAOYSA-N
XLogP1.68
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (CID 3763519) is 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)c(Cc2ccccc2F)c(N)n1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is MIYYOMSMQREKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-16-11(14)9(12(15)17-7)6-8-4-2-3-5-10(8)13/h2-5H,6H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 232.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 3763519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).