2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine

C15H19FN4 — CID 75482572

IUPAC2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine
SMILESCC(C)C(NCc1nccc(N)n1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4/c1-10(2)15(11-3-5-12(16)6-4-11)19-9-14-18-8-7-13(17)20-14/h3-8,10,15,19H,9H2,1-2H3,(H2,17,18,20)
InChIKeyCSGZNOILVRNHFN-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.68
Rot. Bonds5

About 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine

2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine (PubChem CID 75482572) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine
PubChem CID75482572
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine
SMILESCC(C)C(NCc1nccc(N)n1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4/c1-10(2)15(11-3-5-12(16)6-4-11)19-9-14-18-8-7-13(17)20-14/h3-8,10,15,19H,9H2,1-2H3,(H2,17,18,20)
InChIKeyCSGZNOILVRNHFN-UHFFFAOYSA-N
XLogP2.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine (CID 75482572) is 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine is CC(C)C(NCc1nccc(N)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine?
The InChIKey is CSGZNOILVRNHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10(2)15(11-3-5-12(16)6-4-11)19-9-14-18-8-7-13(17)20-14/h3-8,10,15,19H,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine?
2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 75482572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).