2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine

C11H10BrFN4 — CID 61300045

IUPAC2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2cc(Br)ccc2F)nc1
InChIInChI=1S/C11H10BrFN4/c12-8-1-2-10(13)7(3-8)4-15-11-16-5-9(14)6-17-11/h1-3,5-6H,4,14H2,(H,15,16,17)
InChIKeyHQNVEBQUCGNYHX-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.57
Rot. Bonds3

About 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine

2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine (PubChem CID 61300045) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine
PubChem CID61300045
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2cc(Br)ccc2F)nc1
InChIInChI=1S/C11H10BrFN4/c12-8-1-2-10(13)7(3-8)4-15-11-16-5-9(14)6-17-11/h1-3,5-6H,4,14H2,(H,15,16,17)
InChIKeyHQNVEBQUCGNYHX-UHFFFAOYSA-N
XLogP2.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine (CID 61300045) is 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine is Nc1cnc(NCc2cc(Br)ccc2F)nc1.
What is the InChIKey of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine?
The InChIKey is HQNVEBQUCGNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c12-8-1-2-10(13)7(3-8)4-15-11-16-5-9(14)6-17-11/h1-3,5-6H,4,14H2,(H,15,16,17).
What are the key properties of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine?
2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine has a molecular weight of 297.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 61300045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).