N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C15H16BrF2N3 — CID 107540920

IUPACN-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2ccc(F)c(F)c2Br)nc1
InChIInChI=1S/C15H16BrF2N3/c1-15(2,3)21-8-9-6-19-14(20-7-9)10-4-5-11(17)13(18)12(10)16/h4-7,21H,8H2,1-3H3
InChIKeyUEDBUYYJMQKKEA-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.07
Rot. Bonds3

About N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107540920) has the molecular formula C15H16BrF2N3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID107540920
Molecular FormulaC15H16BrF2N3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2ccc(F)c(F)c2Br)nc1
InChIInChI=1S/C15H16BrF2N3/c1-15(2,3)21-8-9-6-19-14(20-7-9)10-4-5-11(17)13(18)12(10)16/h4-7,21H,8H2,1-3H3
InChIKeyUEDBUYYJMQKKEA-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde
CID 107540897
N-[[2-(2-bromo-3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107539855
5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
CID 107539770
2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79755992
N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184324
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
1-[2-(2-bromo-3,4-difluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 107540932
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
N-[[2-(3-bromo-4-methoxyphenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 106951230
methyl 4-amino-2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carboxylate
CID 107541127
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 151677049

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 107540920) is N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(-c2ccc(F)c(F)c2Br)nc1.
What is the InChIKey of N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UEDBUYYJMQKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3/c1-15(2,3)21-8-9-6-19-14(20-7-9)10-4-5-11(17)13(18)12(10)16/h4-7,21H,8H2,1-3H3.
What are the key properties of N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107540920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).