5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine

C17H19BrFN3O — CID 159841974

IUPAC5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(Br)c(CCC3CCCO3)n2)cc1F
InChIInChI=1S/C17H19BrFN3O/c1-11-4-5-12(9-15(11)19)21-17-20-10-14(18)16(22-17)7-6-13-3-2-8-23-13/h4-5,9-10,13H,2-3,6-8H2,1H3,(H,20,21,22)
InChIKeyNOUGJDURJXNBBM-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.54
Rot. Bonds5

About 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine

5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 159841974) has the molecular formula C17H19BrFN3O and a molecular weight of 380.26 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
PubChem CID159841974
Molecular FormulaC17H19BrFN3O
Molecular Weight380.26 g/mol
Exact Mass379.07
IUPAC Name5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(Br)c(CCC3CCCO3)n2)cc1F
InChIInChI=1S/C17H19BrFN3O/c1-11-4-5-12(9-15(11)19)21-17-20-10-14(18)16(22-17)7-6-13-3-2-8-23-13/h4-5,9-10,13H,2-3,6-8H2,1H3,(H,20,21,22)
InChIKeyNOUGJDURJXNBBM-UHFFFAOYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-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

4-[[5-bromo-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-yl]amino]-2-methylphenol
CID 158326309
4-[[5-bromo-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-yl]amino]-2-methylphenol;methane;hydrochloride
CID 158326308
5-bromo-N-(3-fluorophenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;hydrochloride
CID 161097410
5-[[5-bromo-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-yl]amino]-2-hydroxybenzoic acid
CID 159927242
2-fluoro-4-[[5-fluoro-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-yl]amino]phenol;methane;hydrochloride
CID 157143760
5-bromo-2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 59354508
5-[[5-[(2-chloro-6-fluorophenyl)carbamoyl]-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-yl]amino]-2-hydroxybenzoic acid
CID 159816073
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181207
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975818

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine (CID 159841974) is 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine is Cc1ccc(Nc2ncc(Br)c(CCC3CCCO3)n2)cc1F.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is NOUGJDURJXNBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O/c1-11-4-5-12(9-15(11)19)21-17-20-10-14(18)16(22-17)7-6-13-3-2-8-23-13/h4-5,9-10,13H,2-3,6-8H2,1H3,(H,20,21,22).
What are the key properties of 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 380.26 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-4-methylphenyl)-4-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 159841974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).