5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C11H11FN4 — CID 53345195

IUPAC5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN4/c1-6-9(10(13)16-11(14)15-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyQSERXCKUYFMDAC-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.76
Rot. Bonds1

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

5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 53345195) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID53345195
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN4/c1-6-9(10(13)16-11(14)15-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyQSERXCKUYFMDAC-UHFFFAOYSA-N
XLogP1.76
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 53345195) is 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is QSERXCKUYFMDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-6-9(10(13)16-11(14)15-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H4,13,14,15,16).
What are the key properties of 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 218.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 53345195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).