2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine

C11H10BrFN4 — CID 116795672

IUPAC2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H10BrFN4/c12-8-1-2-9(13)7(5-8)6-16-11-15-4-3-10(14)17-11/h1-5H,6H2,(H3,14,15,16,17)
InChIKeyNARUWECPINXKNM-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.57
Rot. Bonds3

About 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine

2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 116795672) 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-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID116795672
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H10BrFN4/c12-8-1-2-9(13)7(5-8)6-16-11-15-4-3-10(14)17-11/h1-5H,6H2,(H3,14,15,16,17)
InChIKeyNARUWECPINXKNM-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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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
CID 114788959
N-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrimidin-2-amine
CID 133309861
4-N-[(5-bromo-2-fluorophenyl)methyl]quinoline-4,8-diamine
CID 83065691
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
N-[(5-bromo-2-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702617
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 115320495
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine (CID 116795672) is 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine is Nc1ccnc(NCc2cc(Br)ccc2F)n1.
What is the InChIKey of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NARUWECPINXKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c12-8-1-2-9(13)7(5-8)6-16-11-15-4-3-10(14)17-11/h1-5H,6H2,(H3,14,15,16,17).
What are the key properties of 2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-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-2,4-diamine is sourced from PubChem (CID 116795672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).